3,5-Diamino-1h-1,2,4-triazole-1-carboxamide
Basic information
- CAS
91986-48-0- Standard SMILES
NC(=O)n1nc(N)nc1N- InChIKey
SKZGQKLHRNIFOM-UHFFFAOYSA-N- Molecular formula
- C3H6N6O
- Average molar mass
- 142.12 g/mol
- Monoisotopic mass
- 142.06030884
Names & identifiers
- Preferred name
- 3,5-Diamino-1h-1,2,4-triazole-1-carboxamide
- IUPAC
- 3,5-diamino-1,2,4-triazole-1-carboxamide
Names & synonyms
3,5-diamino-1h-1,2,4-triazole-1-carboxamide91986-48-03,5-diamino-1,2,4-triazole-1-carboxamideNSC80764DTXSID10292196NSC-80764AKOS006341884
Database identifiers
- CAS
91986-48-0- PubChem CID
- 255349
- DTXSID
DTXSID10292196
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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