Home Amines 1003-35-6
1003-35-6,MFCD00970120
Catalog No.:AA0001EN
1003-35-6 | 3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98+%
in stock  
$44.00
- +
250mg
98+%
in stock  
$61.00
- +
1g
95%
in stock  
$210.00
- +
5g
95%
in stock  
$629.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001EN
Chemical Name:
3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro-
CAS Number:
1003-35-6
Molecular Formula:
C2H4N4O
Molecular Weight:
100.0794
MDL Number:
MFCD00970120
IUPAC Name:
3-amino-1,4-dihydro-1,2,4-triazol-5-one
InChI:
InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
InChI Key:
XOHBRLLZSIGHDE-UHFFFAOYSA-N
SMILES:
Nc1[nH][nH]c(=O)n1
NSC Number:
138436
Properties
Computed Properties
 
Complexity:
128  
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:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
100.081g/mol
Monoisotopic Mass:
100.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

Synonyms
 
1003-35-6 
5-Amino-1H-1,2,4-triazol-3(2H)-one 
AC1L5YX4 
AC1Q6C4B 
SCHEMBL1901262 
CHEMBL1986057 
SCHEMBL18559028 
CTK3J8804 
DTXSID00300714 
XOHBRLLZSIGHDE-UHFFFAOYSA-N 
KS-00000IC2 
ZINC5425396 
5-amino-1,2-dihydro-1,2,4-triazol-3-one 
ANW-65646 
MFCD00970120 
STL371196 
5-amino-4H-1,2,4-triazol-3-ol 
3-Amino-1H-1,2,4-triazole-5-ol 
AKOS011989747 
AKOS015855145 
AKOS016005547 
ACN-052856 
MCULE-9633941721 
5-Amino-2,4-dihydro-[1,2,4]triazol-3-one 
MP-0818 
NE33311 
NSC-138436 
AJ-54053 
AK-89575 
CJ-12610 
DS-16550 
NCI60_000868 
3-Amino-1H-1,2,4-triazol-5(4H)-one 
AB1006319 
5-amino-2,4-dihydro-3H-1,2,4-triazol-3-one 
DB-031163 
CS-0018771 
FT-0763328 
Z3787 
.delta.(2)-1,4-Triazolin-5-one, 3-amino- 
5-amino-2,3-dihydro-1H-1,2,4-triazol-3-one 
3H-1,2,4-Triazol-3-one,5-amino-1,2-dihydro- 
3H-1,4-Triazol-3-one, 5-amino-2,4-dihydro- 
Z1869802420 
null 
3-amino-4,5-dihydro-1H-1,2,4-triazol-5-one 
C2H4N4O 
AR-1F1688 
CID283569 
3-amino-1,4-dihydro-1,2,4-triazol-5-one 
.delta.(2)-1,2,4-Triazolin-5-one, 3-amino- 
3H-1,2,4-Triazol-3-one, 5-amino-2,4-dihydro- 
10040-95-6 
3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro- 
5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one 
3-amino-1h-1,2,4-triazol-5-ol 
NSC138436 
Literature
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