3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine

C16H12N6 — CID 50958436

IUPAC3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine
SMILESc1cncc(-c2nccn2-c2cccc(-n3cnnc3)c2)c1
InChIInChI=1S/C16H12N6/c1-4-14(21-11-19-20-12-21)9-15(5-1)22-8-7-18-16(22)13-3-2-6-17-10-13/h1-12H
InChIKeyGSVSACYRBCVXHZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.52
Rot. Bonds3

About 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine

3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine (PubChem CID 50958436) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine
PubChem CID50958436
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine
SMILESc1cncc(-c2nccn2-c2cccc(-n3cnnc3)c2)c1
InChIInChI=1S/C16H12N6/c1-4-14(21-11-19-20-12-21)9-15(5-1)22-8-7-18-16(22)13-3-2-6-17-10-13/h1-12H
InChIKeyGSVSACYRBCVXHZ-UHFFFAOYSA-N
XLogP2.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one
CID 50968991
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CID 58965505
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
N-[2-ethyl-4-(2-pyridin-3-ylimidazol-1-yl)phenyl]acetamide
CID 50985435
3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
CID 140811429
3-(1-phenylimidazol-2-yl)phenol
CID 70654534
2-(3-bromophenyl)-1-phenylimidazole
CID 70654369
5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine
CID 121496975
4-[2-(3-fluorophenyl)imidazol-1-yl]pyridine
CID 57036251
3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine
CID 56861620
1,2-bis(3,5-diphenylphenyl)imidazole
CID 90181054
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine (CID 50958436) is 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine is c1cncc(-c2nccn2-c2cccc(-n3cnnc3)c2)c1.
What is the InChIKey of 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine?
The InChIKey is GSVSACYRBCVXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-4-14(21-11-19-20-12-21)9-15(5-1)22-8-7-18-16(22)13-3-2-6-17-10-13/h1-12H.
What are the key properties of 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine?
3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine has a molecular weight of 288.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 50958436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).