3-(1,2,4-triazol-1-yl)pyridine

C7H6N4 — CID 16654685

IUPAC3-(1,2,4-triazol-1-yl)pyridine
SMILESc1cncc(-n2cncn2)c1
InChIInChI=1S/C7H6N4/c1-2-7(4-8-3-1)11-6-9-5-10-11/h1-6H
InChIKeyJPUQBIHIIVYDAP-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.66
Rot. Bonds1

About 3-(1,2,4-triazol-1-yl)pyridine

3-(1,2,4-triazol-1-yl)pyridine (PubChem CID 16654685) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)pyridine
PubChem CID16654685
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name3-(1,2,4-triazol-1-yl)pyridine
SMILESc1cncc(-n2cncn2)c1
InChIInChI=1S/C7H6N4/c1-2-7(4-8-3-1)11-6-9-5-10-11/h1-6H
InChIKeyJPUQBIHIIVYDAP-UHFFFAOYSA-N
XLogP0.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 3-(1,2,4-triazol-1-yl)pyridine (CID 16654685) is 3-(1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)pyridine is c1cncc(-n2cncn2)c1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)pyridine?
The InChIKey is JPUQBIHIIVYDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-7(4-8-3-1)11-6-9-5-10-11/h1-6H.
What are the key properties of 3-(1,2,4-triazol-1-yl)pyridine?
3-(1,2,4-triazol-1-yl)pyridine has a molecular weight of 146.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 16654685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).