2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine

C8H8N4 — CID 12787364

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C8H8N4/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,11,12)
InChIKeyBJDVHKDTPXZGEZ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.18
Rot. Bonds1

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine

2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 12787364) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID12787364
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C8H8N4/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,11,12)
InChIKeyBJDVHKDTPXZGEZ-UHFFFAOYSA-N
XLogP1.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine (CID 12787364) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine is Cc1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is BJDVHKDTPXZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,11,12).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 160.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 12787364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).