2-(1H-1,2,4-triazol-5-yl)pyridine

C7H6N4 — CID 10898842

IUPAC2-(1H-1,2,4-triazol-5-yl)pyridine
SMILESc1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKeyPVMLJDLTWMGZAH-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds1

About 2-(1H-1,2,4-triazol-5-yl)pyridine

2-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 10898842) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID10898842
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name2-(1H-1,2,4-triazol-5-yl)pyridine
SMILESc1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKeyPVMLJDLTWMGZAH-UHFFFAOYSA-N
XLogP0.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)pyridine (CID 10898842) is 2-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)pyridine is c1ccc(-c2ncn[nH]2)nc1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is PVMLJDLTWMGZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h1-5H,(H,9,10,11).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)pyridine?
2-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 146.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 10898842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).