1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid

C9H5N5O2 — CID 175302065

IUPAC1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
SMILESN#Cc1ccc(-n2cnc(C(=O)O)n2)nc1
InChIInChI=1S/C9H5N5O2/c10-3-6-1-2-7(11-4-6)14-5-12-8(13-14)9(15)16/h1-2,4-5H,(H,15,16)
InChIKeyKBXHKOPTYQNMGZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.23
Rot. Bonds2

About 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid

1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid (PubChem CID 175302065) has the molecular formula C9H5N5O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
PubChem CID175302065
Molecular FormulaC9H5N5O2
Molecular Weight215.17 g/mol
Exact Mass215.04
IUPAC Name1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
SMILESN#Cc1ccc(-n2cnc(C(=O)O)n2)nc1
InChIInChI=1S/C9H5N5O2/c10-3-6-1-2-7(11-4-6)14-5-12-8(13-14)9(15)16/h1-2,4-5H,(H,15,16)
InChIKeyKBXHKOPTYQNMGZ-UHFFFAOYSA-N
XLogP0.23
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(5-cyano-2-pyridinyl)pyrazole-3-carboxamide
CID 107346504
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
CID 67325965
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile
CID 71813200
1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 141138657
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid (CID 175302065) is 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid is N#Cc1ccc(-n2cnc(C(=O)O)n2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid?
The InChIKey is KBXHKOPTYQNMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O2/c10-3-6-1-2-7(11-4-6)14-5-12-8(13-14)9(15)16/h1-2,4-5H,(H,15,16).
What are the key properties of 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid?
1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid has a molecular weight of 215.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 175302065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).