4-Amino-1,2-dihydrotriazol-5-one
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Basic information
- CAS
802001-66-7- Standard SMILES
Nc1n[nH][nH]c1=O- InChIKey
NZACDECOAVIYAJ-UHFFFAOYSA-N- Molecular formula
- C2H4N4O
- Average molar mass
- 100.08 g/mol
Names & identifiers
- Preferred name
- 4-Amino-1,2-dihydrotriazol-5-one
- IUPAC
- 4-amino-1,2-dihydrotriazol-5-one
- English name
- v-Triazol-4-ol, 5-amino- (8CI)
- Molecular formula
- C2H4N4O
- Molecular weight
- 100.08
Names & synonyms
NSC601836SCHEMBL8254295SCHEMBL17441946AKOS006363597NSC-601836v-Triazol-4-ol, 5-amino- (8CI)4-amino-1,2-dihydrotriazol-5-one4H-1,2,3-Triazol-4-one, 5-amino-2,3-dihydro-
Database identifiers
- CAS
802001-66-7
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Density
- 2.27 · 2.27±0.1 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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