3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C13H10N4O2 — CID 62390041

IUPAC3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1cccc(-c2nnc3ccc(C(=O)O)cn23)n1
InChIInChI=1S/C13H10N4O2/c1-8-3-2-4-10(14-8)12-16-15-11-6-5-9(13(18)19)7-17(11)12/h2-7H,1H3,(H,18,19)
InChIKeyXSYCPGFYRXNCEG-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.80
Rot. Bonds2

About 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 62390041) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID62390041
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1cccc(-c2nnc3ccc(C(=O)O)cn23)n1
InChIInChI=1S/C13H10N4O2/c1-8-3-2-4-10(14-8)12-16-15-11-6-5-9(13(18)19)7-17(11)12/h2-7H,1H3,(H,18,19)
InChIKeyXSYCPGFYRXNCEG-UHFFFAOYSA-N
XLogP1.80
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 62390041) is 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is Cc1cccc(-c2nnc3ccc(C(=O)O)cn23)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is XSYCPGFYRXNCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-3-2-4-10(14-8)12-16-15-11-6-5-9(13(18)19)7-17(11)12/h2-7H,1H3,(H,18,19).
What are the key properties of 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 62390041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).