3-ethyl-4-(furan-2-ylmethylideneamino)-1H-1,2,4-triazol-5-one
Basic information
- CAS
660835-27-8- Standard SMILES
CCc1n[nH]c(=O)n1N=Cc1ccco1- InChIKey
FIKNLECLHAZAPE-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.08037557
Names & identifiers
- Preferred name
- 3-ethyl-4-(furan-2-ylmethylideneamino)-1H-1,2,4-triazol-5-one
- IUPAC
- 3-ethyl-4-(furan-2-ylmethylideneamino)-1H-1,2,4-triazol-5-one
- English name
- 3H-1,2,4-Triazol-3-one,5-ethyl-4-[(2-furanylmethylene)amino]-2,4-dihydro-(9CI)
- Molecular formula
- C9H10N4O2
- Molecular weight
- 206.2
Names & synonyms
660835-27-8DB-2830543H-1,2,4-TRIAZOL-3-ONE, 5-ETHYL-4-[(2-FURANYLMETHYLENE)AMINO]-2,4-DIHYDRO-3H-1,2,4-Triazol-3-one,5-ethyl-4-[(2-furanylmethylene)amino]-2,4-dihydro-(9CI)
Database identifiers
- CAS
660835-27-8- PubChem CID
- 131857097
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 9.67 · 9.67±0.20(Predicted)
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Compound notes
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