2-methyl-6-(1,2,4-triazol-1-yl)pyridine

C8H8N4 — CID 46209955

IUPAC2-methyl-6-(1,2,4-triazol-1-yl)pyridine
SMILESCc1cccc(-n2cncn2)n1
InChIInChI=1S/C8H8N4/c1-7-3-2-4-8(11-7)12-6-9-5-10-12/h2-6H,1H3
InChIKeyRFJLMFBHNCKSEU-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.97
Rot. Bonds1

About 2-methyl-6-(1,2,4-triazol-1-yl)pyridine

2-methyl-6-(1,2,4-triazol-1-yl)pyridine (PubChem CID 46209955) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-methyl-6-(1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(1,2,4-triazol-1-yl)pyridine
PubChem CID46209955
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-methyl-6-(1,2,4-triazol-1-yl)pyridine
SMILESCc1cccc(-n2cncn2)n1
InChIInChI=1S/C8H8N4/c1-7-3-2-4-8(11-7)12-6-9-5-10-12/h2-6H,1H3
InChIKeyRFJLMFBHNCKSEU-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 2-methyl-6-(1,2,4-triazol-1-yl)pyridine (CID 46209955) is 2-methyl-6-(1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 2-methyl-6-(1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 2-methyl-6-(1,2,4-triazol-1-yl)pyridine is Cc1cccc(-n2cncn2)n1.
What is the InChIKey of 2-methyl-6-(1,2,4-triazol-1-yl)pyridine?
The InChIKey is RFJLMFBHNCKSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-7-3-2-4-8(11-7)12-6-9-5-10-12/h2-6H,1H3.
What are the key properties of 2-methyl-6-(1,2,4-triazol-1-yl)pyridine?
2-methyl-6-(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-methyl-6-(1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 46209955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).