2-(4-phenyl-1,2,4-triazol-3-yl)quinoline

C17H12N4 — CID 115393314

IUPAC2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
SMILESc1ccc(-n2cnnc2-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12N4/c1-2-7-14(8-3-1)21-12-18-20-17(21)16-11-10-13-6-4-5-9-15(13)19-16/h1-12H
InChIKeyLPZWLQHHKUHBDF-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline

2-(4-phenyl-1,2,4-triazol-3-yl)quinoline (PubChem CID 115393314) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
PubChem CID115393314
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
SMILESc1ccc(-n2cnnc2-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12N4/c1-2-7-14(8-3-1)21-12-18-20-17(21)16-11-10-13-6-4-5-9-15(13)19-16/h1-12H
InChIKeyLPZWLQHHKUHBDF-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-phenyl-1,2,4-triazol-3-yl)phenoxy]methyl]quinoline
CID 24830505
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
CID 115395568
4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393321
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385
iridium;tris(2-phenylquinoline)
CID 122129463
3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393323
6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 98361777
4-phenyl-1,2,4-triazol-3-amine
CID 12949094
3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
CID 115393303
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline (CID 115393314) is 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline is c1ccc(-n2cnnc2-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
The InChIKey is LPZWLQHHKUHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-7-14(8-3-1)21-12-18-20-17(21)16-11-10-13-6-4-5-9-15(13)19-16/h1-12H.
What are the key properties of 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
2-(4-phenyl-1,2,4-triazol-3-yl)quinoline has a molecular weight of 272.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 115393314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).