Basic information
- Standard SMILES
Cc1cc(CCCCNc2nc(CO)nn2C)sc1C=O- InChIKey
XWMBTGDQRAOWNU-UHFFFAOYSA-N- Molecular formula
- C14H20N4O2S
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- 5-[4-[(3-Hydroxymethyl-1-methyl-1H-1,2,4-triazol-5-yl)amino]butyl]-3-methyl-2-thiophenecarboxaldehyde
- IUPAC
- 5-[4-[[5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-yl]amino]butyl]-3-methylthiophene-2-carbaldehyde
Names & synonyms
SCHEMBL10674728XWMBTGDQRAOWNU-UHFFFAOYSA-N5-[4-[(3-Hydroxymethyl-1-methyl-1H-1,2,4-triazol-5-yl)amino]butyl]-3-methyl-2-thiophenecarboxaldehyde
Database identifiers
- PubChem CID
- 12926519
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Related reactions
1 records
Compound notes
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