6-(1,2,4-triazol-4-yl)pyridin-3-ol

C7H6N4O — CID 130360606

IUPAC6-(1,2,4-triazol-4-yl)pyridin-3-ol
SMILESOc1ccc(-n2cnnc2)nc1
InChIInChI=1S/C7H6N4O/c12-6-1-2-7(8-3-6)11-4-9-10-5-11/h1-5,12H
InChIKeyXASPLZWLWJKLQI-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.37
Rot. Bonds1

About 6-(1,2,4-triazol-4-yl)pyridin-3-ol

6-(1,2,4-triazol-4-yl)pyridin-3-ol (PubChem CID 130360606) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-(1,2,4-triazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name6-(1,2,4-triazol-4-yl)pyridin-3-ol
PubChem CID130360606
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name6-(1,2,4-triazol-4-yl)pyridin-3-ol
SMILESOc1ccc(-n2cnnc2)nc1
InChIInChI=1S/C7H6N4O/c12-6-1-2-7(8-3-6)11-4-9-10-5-11/h1-5,12H
InChIKeyXASPLZWLWJKLQI-UHFFFAOYSA-N
XLogP0.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-4-yl)pyridin-3-ol?
The IUPAC name of 6-(1,2,4-triazol-4-yl)pyridin-3-ol (CID 130360606) is 6-(1,2,4-triazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 6-(1,2,4-triazol-4-yl)pyridin-3-ol?
The canonical SMILES for 6-(1,2,4-triazol-4-yl)pyridin-3-ol is Oc1ccc(-n2cnnc2)nc1.
What is the InChIKey of 6-(1,2,4-triazol-4-yl)pyridin-3-ol?
The InChIKey is XASPLZWLWJKLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-6-1-2-7(8-3-6)11-4-9-10-5-11/h1-5,12H.
What are the key properties of 6-(1,2,4-triazol-4-yl)pyridin-3-ol?
6-(1,2,4-triazol-4-yl)pyridin-3-ol has a molecular weight of 162.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 130360606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).