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

C17H13N3 — CID 25186767

IUPAC9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cccc2c(-c3ccccc3)cc3nncn3c12
InChIInChI=1S/C17H13N3/c1-12-6-5-9-14-15(13-7-3-2-4-8-13)10-16-19-18-11-20(16)17(12)14/h2-11H,1H3
InChIKeyBVKDLSUSYAFKAY-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.86
Rot. Bonds1

About 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline

9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 25186767) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID25186767
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cccc2c(-c3ccccc3)cc3nncn3c12
InChIInChI=1S/C17H13N3/c1-12-6-5-9-14-15(13-7-3-2-4-8-13)10-16-19-18-11-20(16)17(12)14/h2-11H,1H3
InChIKeyBVKDLSUSYAFKAY-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

7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 25186493
5-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-amine
CID 70454579
N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine
CID 141100231
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
5-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridine
CID 71479963
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 141100202
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
2-methyl-6-phenylphenol
CID 12592481
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
CID 23388862
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline (CID 25186767) is 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline is Cc1cccc2c(-c3ccccc3)cc3nncn3c12.
What is the InChIKey of 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is BVKDLSUSYAFKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-6-5-9-14-15(13-7-3-2-4-8-13)10-16-19-18-11-20(16)17(12)14/h2-11H,1H3.
What are the key properties of 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
9-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 9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 25186767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).