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

C8H8N4 — CID 154284403

IUPAC2-(5-methyl-1,2,4-triazol-1-yl)pyridine
SMILESCc1ncnn1-c1ccccn1
InChIInChI=1S/C8H8N4/c1-7-10-6-11-12(7)8-4-2-3-5-9-8/h2-6H,1H3
InChIKeyGSQDXGXVNAANEE-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.97
Rot. Bonds1

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

2-(5-methyl-1,2,4-triazol-1-yl)pyridine (PubChem CID 154284403) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-triazol-1-yl)pyridine
PubChem CID154284403
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-(5-methyl-1,2,4-triazol-1-yl)pyridine
SMILESCc1ncnn1-c1ccccn1
InChIInChI=1S/C8H8N4/c1-7-10-6-11-12(7)8-4-2-3-5-9-8/h2-6H,1H3
InChIKeyGSQDXGXVNAANEE-UHFFFAOYSA-N
XLogP0.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598
2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine
CID 107447271
2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine
CID 135185425
N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 135185533
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanol
CID 66438330
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
CID 97179619
4-[(Z)-prop-1-enyl]-2-pyridin-2-yl-1,2,4-triazol-3-one
CID 130288465
1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 5200441
2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
CID 123989835
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 2-(5-methyl-1,2,4-triazol-1-yl)pyridine (CID 154284403) is 2-(5-methyl-1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 2-(5-methyl-1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 2-(5-methyl-1,2,4-triazol-1-yl)pyridine is Cc1ncnn1-c1ccccn1.
What is the InChIKey of 2-(5-methyl-1,2,4-triazol-1-yl)pyridine?
The InChIKey is GSQDXGXVNAANEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-7-10-6-11-12(7)8-4-2-3-5-9-8/h2-6H,1H3.
What are the key properties of 2-(5-methyl-1,2,4-triazol-1-yl)pyridine?
2-(5-methyl-1,2,4-triazol-1-yl)pyridine has a molecular weight of 160.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 154284403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).