4-propyl-4H-1,2,4-triazole-3-carbaldehyde
Basic information
- CAS
497855-55-7- Standard SMILES
CCCn1cnnc1C=O- InChIKey
SIWDLHCZHLPJAX-UHFFFAOYSA-N- Molecular formula
- C6H9N3O
- Average molar mass
- 139.16 g/mol
Names & identifiers
- Preferred name
- 4-propyl-4H-1,2,4-triazole-3-carbaldehyde
- IUPAC
- 4-propyl-1,2,4-triazole-3-carbaldehyde
- English name
- 4H-1,2,4-Triazole-3-carboxaldehyde,4-propyl-(9CI)
- Molecular formula
- C6H9N3O
- Molecular weight
- 139.16
Names & synonyms
4-propyl-4H-1,2,4-triazole-3-carbaldehyde497855-55-7SCHEMBL56556994H-1,2,4-Triazole-3-carboxaldehyde, 4-propyl-4H-1,2,4-Triazole-3-carboxaldehyde,4-propyl-(9CI)
Database identifiers
- CAS
497855-55-7
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
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Compound notes
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