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

C17H13N3 — CID 14666362

IUPAC5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2nnc(-c3ccccc3)n2c2ccccc12
InChIInChI=1S/C17H13N3/c1-12-11-16-18-19-17(13-7-3-2-4-8-13)20(16)15-10-6-5-9-14(12)15/h2-11H,1H3
InChIKeyJDLIHCYBHLTNTD-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.86
Rot. Bonds1

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

5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 14666362) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID14666362
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2nnc(-c3ccccc3)n2c2ccccc12
InChIInChI=1S/C17H13N3/c1-12-11-16-18-19-17(13-7-3-2-4-8-13)20(16)15-10-6-5-9-14(12)15/h2-11H,1H3
InChIKeyJDLIHCYBHLTNTD-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline (CID 14666362) is 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline is Cc1cc2nnc(-c3ccccc3)n2c2ccccc12.
What is the InChIKey of 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is JDLIHCYBHLTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-11-16-18-19-17(13-7-3-2-4-8-13)20(16)15-10-6-5-9-14(12)15/h2-11H,1H3.
What are the key properties of 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline?
5-methyl-1-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 5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 14666362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).