Home Amines 1003-23-2
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
  
100mg
95.0%
3 weeks  
$346.00
- +
250mg
95.0%
3 weeks  
$486.00
- +
500mg
95.0%
3 weeks  
$896.00
- +
1g
95.0%
3 weeks  
$1,144.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
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
IUPAC Name:
4-amino-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C2H4N4O/c3-6-1-4-5-2(6)7/h1H,3H2,(H,5,7)
InChI Key:
CPCBLTSIDBUNNE-UHFFFAOYSA-N
SMILES:
Nn1cn[nH]c1=O
Properties
Computed Properties
 
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.039g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
100.081g/mol
Monoisotopic Mass:
100.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

Synonyms
 
4-amino-4,5-dihydro-1H-1,2,4-triazol-5-one 
1003-23-2 
ZINC16887562 
4-amino-1H-1,2,4-triazol-5-one 
4-Amino-1H-1,2,4-triazole-5-one 
NE49072 
4-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one # 
4-Amino-4,5(1H)-dihydro-1,2,4-triazole-5-one 
CID567624 
4-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one 
CPCBLTSIDBUNNE-UHFFFAOYSA-N 
3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro- 
AC1LC0WW 
SCHEMBL7057857 
CTK0G8932 
DTXSID90340806 
4-amino-1,2,4-triazol-3-one 
4-amino-1,2,4-triazol-5-one 
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

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products