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

C10H8N6 — CID 130431425

IUPAC2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine
SMILESc1cc(-c2cn[nH]n2)cc(-c2cnc[nH]2)n1
InChIInChI=1S/C10H8N6/c1-2-12-8(10-4-11-6-13-10)3-7(1)9-5-14-16-15-9/h1-6H,(H,11,13)(H,14,15,16)
InChIKeyBXXFQOINQFDQPK-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.26
Rot. Bonds2

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

2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine (PubChem CID 130431425) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine
PubChem CID130431425
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine
SMILESc1cc(-c2cn[nH]n2)cc(-c2cnc[nH]2)n1
InChIInChI=1S/C10H8N6/c1-2-12-8(10-4-11-6-13-10)3-7(1)9-5-14-16-15-9/h1-6H,(H,11,13)(H,14,15,16)
InChIKeyBXXFQOINQFDQPK-UHFFFAOYSA-N
XLogP1.26
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1H-imidazol-5-yl)pyrazine;dihydrochloride
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ethane;2-(1H-imidazol-5-yl)pyridine
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4-(3,4-dimethylphenyl)-2H-triazole
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1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
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2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine?
The IUPAC name of 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine (CID 130431425) is 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine is c1cc(-c2cn[nH]n2)cc(-c2cnc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine?
The InChIKey is BXXFQOINQFDQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-2-12-8(10-4-11-6-13-10)3-7(1)9-5-14-16-15-9/h1-6H,(H,11,13)(H,14,15,16).
What are the key properties of 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine?
2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine has a molecular weight of 212.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-4-(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 130431425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).