4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one
Basic information
- CAS
13750-48-6- Standard SMILES
Nc1n[nH]c(=O)n1N- InChIKey
NJELIJIXLALKNE-UHFFFAOYSA-N- Molecular formula
- C2H5N5O
- Average molar mass
- 115.09 g/mol
- Monoisotopic mass
- 115.0494098
Names & identifiers
- Preferred name
- 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 3,4-diamino-1H-1,2,4-triazol-5-one
Names & synonyms
13750-48-6NSC2821104,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-oneSCHEMBL9279734DTXSID30314349AKOS006342116AKOS017407380NSC-282110DS-0142033H-1,2,4-TRIAZOL-3-ONE,4,5-DIAMINO-2,4-DIHYDRO-
Database identifiers
- CAS
13750-48-6- PubChem CID
- 323231
- DTXSID
DTXSID30314349
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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