1H-1,2,4-Triazole-3-carboxylic acid, 1-(3-methoxyphenyl)-5-propyl-
Basic information
- CAS
1154371-23-9- Standard SMILES
CCCc1nc(C(=O)O)nn1-c1cccc(OC)c1- InChIKey
XABQDXDPRYYLEY-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3
- Average molar mass
- 261.28 g/mol
- Monoisotopic mass
- 261.11134135
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-3-carboxylic acid, 1-(3-methoxyphenyl)-5-propyl-
- IUPAC
- 1-(3-methoxyphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
Names & synonyms
DTXSID6011656291H-1,2,4-Triazole-3-carboxylic acid, 1-(3-methoxyphenyl)-5-propyl-1154371-23-91-(3-Methoxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxylic acid
Database identifiers
- CAS
1154371-23-9- PubChem CID
- 43652307
- DTXSID
DTXSID601165629
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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