[1-(4-propylphenyl)triazol-4-yl]methanol

C12H15N3O — CID 59667719

IUPAC[1-(4-propylphenyl)triazol-4-yl]methanol
SMILESCCCc1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C12H15N3O/c1-2-3-10-4-6-12(7-5-10)15-8-11(9-16)13-14-15/h4-8,16H,2-3,9H2,1H3
InChIKeyWKZNZLZQFMMANE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.71
Rot. Bonds4

About [1-(4-propylphenyl)triazol-4-yl]methanol

[1-(4-propylphenyl)triazol-4-yl]methanol (PubChem CID 59667719) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [1-(4-propylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-propylphenyl)triazol-4-yl]methanol
PubChem CID59667719
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[1-(4-propylphenyl)triazol-4-yl]methanol
SMILESCCCc1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C12H15N3O/c1-2-3-10-4-6-12(7-5-10)15-8-11(9-16)13-14-15/h4-8,16H,2-3,9H2,1H3
InChIKeyWKZNZLZQFMMANE-UHFFFAOYSA-N
XLogP1.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-propylphenyl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-propylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-propylphenyl)triazol-4-yl]methanol (CID 59667719) is [1-(4-propylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-propylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-propylphenyl)triazol-4-yl]methanol is CCCc1ccc(-n2cc(CO)nn2)cc1.
What is the InChIKey of [1-(4-propylphenyl)triazol-4-yl]methanol?
The InChIKey is WKZNZLZQFMMANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-3-10-4-6-12(7-5-10)15-8-11(9-16)13-14-15/h4-8,16H,2-3,9H2,1H3.
What are the key properties of [1-(4-propylphenyl)triazol-4-yl]methanol?
[1-(4-propylphenyl)triazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 59667719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).