7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline

C17H13N3 — CID 25186493

IUPAC7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1ccc2c(c1)c(-c1ccccc1)cc1nncn12
InChIInChI=1S/C17H13N3/c1-12-7-8-16-15(9-12)14(13-5-3-2-4-6-13)10-17-19-18-11-20(16)17/h2-11H,1H3
InChIKeyOGVXEMGRMVIJIV-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.86
Rot. Bonds1

About 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline

7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 25186493) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID25186493
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1ccc2c(c1)c(-c1ccccc1)cc1nncn12
InChIInChI=1S/C17H13N3/c1-12-7-8-16-15(9-12)14(13-5-3-2-4-6-13)10-17-19-18-11-20(16)17/h2-11H,1H3
InChIKeyOGVXEMGRMVIJIV-UHFFFAOYSA-N
XLogP3.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 25186767
7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 155814381
N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine
CID 141100231
7-chloro-5-phenylimidazo[1,2-a]quinoline
CID 14357903
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole
CID 170367088
3,9-dimethyl-6-phenylcarbazole
CID 59499447
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 141100202
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512116

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline (CID 25186493) is 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline is Cc1ccc2c(c1)c(-c1ccccc1)cc1nncn12.
What is the InChIKey of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is OGVXEMGRMVIJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-7-8-16-15(9-12)14(13-5-3-2-4-6-13)10-17-19-18-11-20(16)17/h2-11H,1H3.
What are the key properties of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 259.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 25186493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).