1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one

C11H9N3O — CID 89315355

IUPAC1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one
SMILESCc1nnc2n1-c1ccccc1CC2=O
InChIInChI=1S/C11H9N3O/c1-7-12-13-11-10(15)6-8-4-2-3-5-9(8)14(7)11/h2-5H,6H2,1H3
InChIKeyGGHXUCNTZVMTHX-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.31
Rot. Bonds

About 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one

1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one (PubChem CID 89315355) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one.

Molecular Properties

Compound Name1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one
PubChem CID89315355
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one
SMILESCc1nnc2n1-c1ccccc1CC2=O
InChIInChI=1S/C11H9N3O/c1-7-12-13-11-10(15)6-8-4-2-3-5-9(8)14(7)11/h2-5H,6H2,1H3
InChIKeyGGHXUCNTZVMTHX-UHFFFAOYSA-N
XLogP1.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one?
The IUPAC name of 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one (CID 89315355) is 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one.
What is the SMILES notation for 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one?
The canonical SMILES for 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one is Cc1nnc2n1-c1ccccc1CC2=O.
What is the InChIKey of 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one?
The InChIKey is GGHXUCNTZVMTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-7-12-13-11-10(15)6-8-4-2-3-5-9(8)14(7)11/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one?
1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one has a molecular weight of 199.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5H-[1,2,4]triazolo[4,3-a]quinolin-4-one is sourced from PubChem (CID 89315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).