3-(triazol-1-yl)pyridine-4-carboxylic acid

C8H6N4O2 — CID 84662416

IUPAC3-(triazol-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-n1ccnn1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-1-2-9-5-7(6)12-4-3-10-11-12/h1-5H,(H,13,14)
InChIKeyOONVZSYYUOCOMM-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.36
Rot. Bonds2

About 3-(triazol-1-yl)pyridine-4-carboxylic acid

3-(triazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 84662416) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-(triazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(triazol-1-yl)pyridine-4-carboxylic acid
PubChem CID84662416
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name3-(triazol-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-n1ccnn1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-1-2-9-5-7(6)12-4-3-10-11-12/h1-5H,(H,13,14)
InChIKeyOONVZSYYUOCOMM-UHFFFAOYSA-N
XLogP0.36
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 114288842
3-(triazol-1-yl)pyridin-4-amine
CID 84651204
3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 113269776
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 115645903
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid
CID 105062853
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
CID 114288647
3-carbazol-9-ylpyridine-4-carboxylic acid
CID 175351779
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-(benzotriazol-1-yl)pyridine-4-carboxylic acid
CID 113269774
2-methyl-5-(triazol-1-yl)benzoic acid
CID 84671343
2,3-difluoro-6-(triazol-1-yl)benzoic acid
CID 118308043

Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(triazol-1-yl)pyridine-4-carboxylic acid (CID 84662416) is 3-(triazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(triazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(triazol-1-yl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1-n1ccnn1.
What is the InChIKey of 3-(triazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is OONVZSYYUOCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)6-1-2-9-5-7(6)12-4-3-10-11-12/h1-5H,(H,13,14).
What are the key properties of 3-(triazol-1-yl)pyridine-4-carboxylic acid?
3-(triazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 84662416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).