3-(1-pyridin-3-yltriazol-4-yl)benzoic acid

C14H10N4O2 — CID 162643377

IUPAC3-(1-pyridin-3-yltriazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2cn(-c3cccnc3)nn2)c1
InChIInChI=1S/C14H10N4O2/c19-14(20)11-4-1-3-10(7-11)13-9-18(17-16-13)12-5-2-6-15-8-12/h1-9H,(H,19,20)
InChIKeyRYUQZSJGHINCHN-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.03
Rot. Bonds3

About 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid

3-(1-pyridin-3-yltriazol-4-yl)benzoic acid (PubChem CID 162643377) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(1-pyridin-3-yltriazol-4-yl)benzoic acid
PubChem CID162643377
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-(1-pyridin-3-yltriazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2cn(-c3cccnc3)nn2)c1
InChIInChI=1S/C14H10N4O2/c19-14(20)11-4-1-3-10(7-11)13-9-18(17-16-13)12-5-2-6-15-8-12/h1-9H,(H,19,20)
InChIKeyRYUQZSJGHINCHN-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid 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 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid?
The IUPAC name of 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid (CID 162643377) is 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid.
What is the SMILES notation for 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid?
The canonical SMILES for 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid is O=C(O)c1cccc(-c2cn(-c3cccnc3)nn2)c1.
What is the InChIKey of 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid?
The InChIKey is RYUQZSJGHINCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)11-4-1-3-10(7-11)13-9-18(17-16-13)12-5-2-6-15-8-12/h1-9H,(H,19,20).
What are the key properties of 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid?
3-(1-pyridin-3-yltriazol-4-yl)benzoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-yltriazol-4-yl)benzoic acid is sourced from PubChem (CID 162643377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).