2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid

C19H13N5O2 — CID 91215108

IUPAC2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1nnc(-c2ccccn2)n1-c1ccccc1
InChIInChI=1S/C19H13N5O2/c25-19(26)14-9-6-12-21-16(14)18-23-22-17(15-10-4-5-11-20-15)24(18)13-7-2-1-3-8-13/h1-12H,(H,25,26)
InChIKeyZTCFPAJMANAIBL-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid

2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid (PubChem CID 91215108) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid
PubChem CID91215108
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1nnc(-c2ccccn2)n1-c1ccccc1
InChIInChI=1S/C19H13N5O2/c25-19(26)14-9-6-12-21-16(14)18-23-22-17(15-10-4-5-11-20-15)24(18)13-7-2-1-3-8-13/h1-12H,(H,25,26)
InChIKeyZTCFPAJMANAIBL-UHFFFAOYSA-N
XLogP3.09
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid (CID 91215108) is 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1nnc(-c2ccccn2)n1-c1ccccc1.
What is the InChIKey of 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is ZTCFPAJMANAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c25-19(26)14-9-6-12-21-16(14)18-23-22-17(15-10-4-5-11-20-15)24(18)13-7-2-1-3-8-13/h1-12H,(H,25,26).
What are the key properties of 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid?
2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 91215108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).