6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride

C11H9ClN6O3 — CID 68752833

IUPAC6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1
InChIInChI=1S/C11H8N6O3.ClH/c18-10-8(16-4-3-13-15-16)6-14-17(10)9-2-1-7(5-12-9)11(19)20;/h1-6,14H,(H,19,20);1H
InChIKeyMJABNXLMCIHCCW-UHFFFAOYSA-N
MW308.69 g/mol
LogP0.26
Rot. Bonds3

About 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride

6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 68752833) has the molecular formula C11H9ClN6O3 and a molecular weight of 308.69 g/mol. Its IUPAC name is 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride
PubChem CID68752833
Molecular FormulaC11H9ClN6O3
Molecular Weight308.69 g/mol
Exact Mass308.04
IUPAC Name6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1
InChIInChI=1S/C11H8N6O3.ClH/c18-10-8(16-4-3-13-15-16)6-14-17(10)9-2-1-7(5-12-9)11(19)20;/h1-6,14H,(H,19,20);1H
InChIKeyMJABNXLMCIHCCW-UHFFFAOYSA-N
XLogP0.26
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride (CID 68752833) is 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1.
What is the InChIKey of 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is MJABNXLMCIHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O3.ClH/c18-10-8(16-4-3-13-15-16)6-14-17(10)9-2-1-7(5-12-9)11(19)20;/h1-6,14H,(H,19,20);1H.
What are the key properties of 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride?
6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 308.69 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 68752833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).