2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine

C15H14N4O2 — CID 71812350

IUPAC2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
SMILESCOc1ccc(-n2cc(-c3ccccn3)nn2)cc1OC
InChIInChI=1S/C15H14N4O2/c1-20-14-7-6-11(9-15(14)21-2)19-10-13(17-18-19)12-5-3-4-8-16-12/h3-10H,1-2H3
InChIKeyDAHOWEICXLXFLR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.35
Rot. Bonds4

About 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine

2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine (PubChem CID 71812350) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
PubChem CID71812350
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
SMILESCOc1ccc(-n2cc(-c3ccccn3)nn2)cc1OC
InChIInChI=1S/C15H14N4O2/c1-20-14-7-6-11(9-15(14)21-2)19-10-13(17-18-19)12-5-3-4-8-16-12/h3-10H,1-2H3
InChIKeyDAHOWEICXLXFLR-UHFFFAOYSA-N
XLogP2.35
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine (CID 71812350) is 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine is COc1ccc(-n2cc(-c3ccccn3)nn2)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine?
The InChIKey is DAHOWEICXLXFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-14-7-6-11(9-15(14)21-2)19-10-13(17-18-19)12-5-3-4-8-16-12/h3-10H,1-2H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine?
2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine has a molecular weight of 282.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 71812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).