1003-23-2,MFCD18833612
Catalog No.:AA0001EU

1003-23-2 | 3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$475.00   $333.00
- +
100mg
95%
3 weeks  
$652.00   $457.00
- +
250mg
95%
3 weeks  
$884.00   $619.00
- +
500mg
95%
3 weeks  
$1,327.00   $929.00
- +
1g
95%
3 weeks  
$1,670.00   $1,169.00
- +
2.5g
95%
3 weeks  
$3,163.00   $2,214.00
- +
5g
95%
3 weeks  
$4,624.00   $3,237.00
- +
10g
95%
3 weeks  
$6,804.00   $4,763.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0001EU
Chemical Name:
3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro-
CAS Number:
1003-23-2
Molecular Formula:
C2H4N4O
Molecular Weight:
100.0794
MDL Number:
MFCD18833612
SMILES:
Nn1cn[nH]c1=O
Properties
Computed Properties
 
Complexity:
119  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-1.4  

Literature

Title: Mechanisms of the cascade synthesis of substituted 4-amino-1,2,4-triazol-3-one from Huisgen zwitterion and aldehyde hydrazone: a DFT study.

Journal: Journal of computational chemistry 20120315

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Related Products of 1003-23-2
Tags:1003-23-2 Molecular Formula|1003-23-2 MDL|1003-23-2 SMILES|1003-23-2 3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro-
Catalog No.: AA0001EU
1003-23-2,MFCD18833612
1003-23-2 | 3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro-
Pack Size: 50mg
Purity: 95%
3 weeks
$475.00 $333.00
Pack Size: 100mg
Purity: 95%
3 weeks
$652.00 $457.00
Pack Size: 250mg
Purity: 95%
3 weeks
$884.00 $619.00
Pack Size: 500mg
Purity: 95%
3 weeks
$1,327.00 $929.00
Pack Size: 1g
Purity: 95%
3 weeks
$1,670.00 $1,169.00
Pack Size: 2.5g
Purity: 95%
3 weeks
$3,163.00 $2,214.00
Pack Size: 5g
Purity: 95%
3 weeks
$4,624.00 $3,237.00
Pack Size: 10g
Purity: 95%
3 weeks
$6,804.00 $4,763.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA0001EU
Chemical Name: 3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro-
CAS Number: 1003-23-2
Molecular Formula: C2H4N4O
Molecular Weight: 100.0794
MDL Number: MFCD18833612
SMILES: Nn1cn[nH]c1=O
Properties
Complexity: 119  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -1.4  
Literature fold

Title: Mechanisms of the cascade synthesis of substituted 4-amino-1,2,4-triazol-3-one from Huisgen zwitterion and aldehyde hydrazone: a DFT study.

Journal: Journal of computational chemistry20120315

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