1-(4-fluorophenyl)-4,5-dimethyltriazole

C10H10FN3 — CID 58328322

IUPAC1-(4-fluorophenyl)-4,5-dimethyltriazole
SMILESCc1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C10H10FN3/c1-7-8(2)14(13-12-7)10-5-3-9(11)4-6-10/h3-6H,1-2H3
InChIKeyQAWNEZVYKOGBKQ-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.02
Rot. Bonds1

About 1-(4-fluorophenyl)-4,5-dimethyltriazole

1-(4-fluorophenyl)-4,5-dimethyltriazole (PubChem CID 58328322) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4,5-dimethyltriazole
PubChem CID58328322
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name1-(4-fluorophenyl)-4,5-dimethyltriazole
SMILESCc1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C10H10FN3/c1-7-8(2)14(13-12-7)10-5-3-9(11)4-6-10/h3-6H,1-2H3
InChIKeyQAWNEZVYKOGBKQ-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-4,5-dimethyltriazole 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-fluorophenyl)-4,5-dimethyltriazole?
The IUPAC name of 1-(4-fluorophenyl)-4,5-dimethyltriazole (CID 58328322) is 1-(4-fluorophenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4,5-dimethyltriazole?
The canonical SMILES for 1-(4-fluorophenyl)-4,5-dimethyltriazole is Cc1nnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-4,5-dimethyltriazole?
The InChIKey is QAWNEZVYKOGBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-7-8(2)14(13-12-7)10-5-3-9(11)4-6-10/h3-6H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4,5-dimethyltriazole?
1-(4-fluorophenyl)-4,5-dimethyltriazole has a molecular weight of 191.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 58328322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).