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

C17H12N4 — CID 115393321

IUPAC4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
SMILESc1ccc(-n2cnnc2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C17H12N4/c1-2-6-13(7-3-1)21-12-19-20-17(21)15-10-11-18-16-9-5-4-8-14(15)16/h1-12H
InChIKeyNRXUXFTUAGZPRU-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds2

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

4-(4-phenyl-1,2,4-triazol-3-yl)quinoline (PubChem CID 115393321) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
PubChem CID115393321
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
SMILESc1ccc(-n2cnnc2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C17H12N4/c1-2-6-13(7-3-1)21-12-19-20-17(21)15-10-11-18-16-9-5-4-8-14(15)16/h1-12H
InChIKeyNRXUXFTUAGZPRU-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-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393314
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393323
2-[(4-methyl-5-quinolin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 53414628
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449
4-pyrimidin-2-ylquinoline
CID 123157198
2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
CID 143438590
5-chloro-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 62710247
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739
4-bromo-3-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115297043
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
CID 115393303
2-[[4-(4-phenyl-1,2,4-triazol-3-yl)phenoxy]methyl]quinoline
CID 24830505

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline (CID 115393321) is 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline is c1ccc(-n2cnnc2-c2ccnc3ccccc23)cc1.
What is the InChIKey of 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
The InChIKey is NRXUXFTUAGZPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-6-13(7-3-1)21-12-19-20-17(21)15-10-11-18-16-9-5-4-8-14(15)16/h1-12H.
What are the key properties of 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline?
4-(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 4-(4-phenyl-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 115393321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).