2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine

C11H10N6 — CID 118956738

IUPAC2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine
SMILESCn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1
InChIInChI=1S/C11H10N6/c1-17-6-11(13-7-17)9-4-8(2-3-12-9)10-5-14-16-15-10/h2-7H,1H3,(H,14,15,16)
InChIKeyJMBGPAGLZBKRJX-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.27
Rot. Bonds2

About 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine

2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine (PubChem CID 118956738) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine
PubChem CID118956738
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine
SMILESCn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1
InChIInChI=1S/C11H10N6/c1-17-6-11(13-7-17)9-4-8(2-3-12-9)10-5-14-16-15-10/h2-7H,1H3,(H,14,15,16)
InChIKeyJMBGPAGLZBKRJX-UHFFFAOYSA-N
XLogP1.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine?
The IUPAC name of 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine (CID 118956738) is 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine is Cn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine?
The InChIKey is JMBGPAGLZBKRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-17-6-11(13-7-17)9-4-8(2-3-12-9)10-5-14-16-15-10/h2-7H,1H3,(H,14,15,16).
What are the key properties of 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine?
2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine has a molecular weight of 226.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-4-(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 118956738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).