2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine

C15H13ClN4O — CID 4730474

IUPAC2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(Cl)ccc1OCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C15H13ClN4O/c1-10-8-11(16)5-6-13(10)21-9-14-18-15(20-19-14)12-4-2-3-7-17-12/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyDOUOQWGSGYNPQN-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.41
Rot. Bonds4

About 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine

2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 4730474) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID4730474
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(Cl)ccc1OCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C15H13ClN4O/c1-10-8-11(16)5-6-13(10)21-9-14-18-15(20-19-14)12-4-2-3-7-17-12/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyDOUOQWGSGYNPQN-UHFFFAOYSA-N
XLogP3.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]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-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 4730474) is 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine is Cc1cc(Cl)ccc1OCc1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is DOUOQWGSGYNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-8-11(16)5-6-13(10)21-9-14-18-15(20-19-14)12-4-2-3-7-17-12/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 300.75 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 4730474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).