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

C15H14N4O — CID 166328957

IUPAC2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
SMILESCCOc1ccc(-c2ncn(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-2-20-13-8-6-12(7-9-13)15-17-11-19(18-15)14-5-3-4-10-16-14/h3-11H,2H2,1H3
InChIKeyCSSQSVJXFDBXKF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.73
Rot. Bonds4

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

2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 166328957) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID166328957
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
SMILESCCOc1ccc(-c2ncn(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-2-20-13-8-6-12(7-9-13)15-17-11-19(18-15)14-5-3-4-10-16-14/h3-11H,2H2,1H3
InChIKeyCSSQSVJXFDBXKF-UHFFFAOYSA-N
XLogP2.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328958
5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 82072302
diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate
CID 12942589
2-[3-(4-octadecoxyphenyl)pyrazol-1-yl]pyridine
CID 86228404
2-[3-(4-decoxyphenyl)pyrazol-1-yl]pyridine
CID 86228398
3-(4-ethoxyphenyl)-1-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110546585
ethoxybenzene chloride
CID 21193593
3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
CID 172602798
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
CID 22736777
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728
4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
CID 135429673

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine (CID 166328957) is 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine is CCOc1ccc(-c2ncn(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is CSSQSVJXFDBXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-20-13-8-6-12(7-9-13)15-17-11-19(18-15)14-5-3-4-10-16-14/h3-11H,2H2,1H3.
What are the key properties of 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 266.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 166328957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).