Basic information
- CAS
4379-93-5- Standard SMILES
CCc1n[nH]c(=O)n1N- InChIKey
ZXGTZAGVVNTWAW-UHFFFAOYSA-N- Molecular formula
- C4H8N4O
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.06981088
Names & identifiers
- Preferred name
- 4-amino-3-ethyl-1H-1,2,4-triazol-5-one
- IUPAC
- 4-amino-3-ethyl-1H-1,2,4-triazol-5-one
Names & synonyms
NSC6743244-Amino-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one4-amino-3-ethyl-1H-1,2,4-triazol-5-one4379-93-5SCHEMBL9366213CHEMBL1985588DTXSID30327651ZXGTZAGVVNTWAW-UHFFFAOYSA-NNSC-6743243-ethyl-4-amino-1,2,4-triazol-5-oneNCI60_026357
Database identifiers
- CAS
4379-93-5- PubChem CID
- 384491
- DTXSID
DTXSID30327651- ChEMBL
CHEMBL1985588- Nikkaji
- J1.531.681K
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 164
Related reactions
2 records
Compound notes
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