2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine

C18H15FN4 — CID 66598455

IUPAC2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine
SMILESCc1nn(CCC#Cc2ccccn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN4/c1-14-18(15-8-10-16(19)11-9-15)22-23(21-14)13-5-3-7-17-6-2-4-12-20-17/h2,4,6,8-12H,5,13H2,1H3
InChIKeyWUAFJVNOAYCBFZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.23
Rot. Bonds3

About 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine

2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine (PubChem CID 66598455) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine
PubChem CID66598455
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Name2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine
SMILESCc1nn(CCC#Cc2ccccn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN4/c1-14-18(15-8-10-16(19)11-9-15)22-23(21-14)13-5-3-7-17-6-2-4-12-20-17/h2,4,6,8-12H,5,13H2,1H3
InChIKeyWUAFJVNOAYCBFZ-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine 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 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine (CID 66598455) is 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine is Cc1nn(CCC#Cc2ccccn2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine?
The InChIKey is WUAFJVNOAYCBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c1-14-18(15-8-10-16(19)11-9-15)22-23(21-14)13-5-3-7-17-6-2-4-12-20-17/h2,4,6,8-12H,5,13H2,1H3.
What are the key properties of 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine?
2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine has a molecular weight of 306.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-5-methyltriazol-2-yl]but-1-ynyl]pyridine is sourced from PubChem (CID 66598455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).