[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol

C13H17N3O — CID 115396895

IUPAC[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3O/c1-3-8-16-12(9-17)14-15-13(16)11-6-4-10(2)5-7-11/h4-7,17H,3,8-9H2,1-2H3
InChIKeySTUTXFVZRUGIPB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds4

About [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396895) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396895
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3O/c1-3-8-16-12(9-17)14-15-13(16)11-6-4-10(2)5-7-11/h4-7,17H,3,8-9H2,1-2H3
InChIKeySTUTXFVZRUGIPB-UHFFFAOYSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-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 [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 115396895) is [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1-c1ccc(C)cc1.
What is the InChIKey of [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is STUTXFVZRUGIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-8-16-12(9-17)14-15-13(16)11-6-4-10(2)5-7-11/h4-7,17H,3,8-9H2,1-2H3.
What are the key properties of [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 231.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).