1-(3-methylcyclopentyl)-4-phenyltriazole

C14H17N3 — CID 126836997

IUPAC1-(3-methylcyclopentyl)-4-phenyltriazole
SMILESCC1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C14H17N3/c1-11-7-8-13(9-11)17-10-14(15-16-17)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyKLFSZANXUKIBLY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.31
Rot. Bonds2

About 1-(3-methylcyclopentyl)-4-phenyltriazole

1-(3-methylcyclopentyl)-4-phenyltriazole (PubChem CID 126836997) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-4-phenyltriazole
PubChem CID126836997
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(3-methylcyclopentyl)-4-phenyltriazole
SMILESCC1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C14H17N3/c1-11-7-8-13(9-11)17-10-14(15-16-17)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyKLFSZANXUKIBLY-UHFFFAOYSA-N
XLogP3.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylcyclopentyl)-4-phenyltriazole 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-(3-methylcyclopentyl)-4-phenyltriazole?
The IUPAC name of 1-(3-methylcyclopentyl)-4-phenyltriazole (CID 126836997) is 1-(3-methylcyclopentyl)-4-phenyltriazole.
What is the SMILES notation for 1-(3-methylcyclopentyl)-4-phenyltriazole?
The canonical SMILES for 1-(3-methylcyclopentyl)-4-phenyltriazole is CC1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-4-phenyltriazole?
The InChIKey is KLFSZANXUKIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-7-8-13(9-11)17-10-14(15-16-17)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-4-phenyltriazole?
1-(3-methylcyclopentyl)-4-phenyltriazole has a molecular weight of 227.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-4-phenyltriazole is sourced from PubChem (CID 126836997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).