5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C12H11N3O — CID 69456074

IUPAC5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1ccc2c(C)cc3n[nH]c(=O)n3c2c1
InChIInChI=1S/C12H11N3O/c1-7-3-4-9-8(2)6-11-13-14-12(16)15(11)10(9)5-7/h3-6H,1-2H3,(H,14,16)
InChIKeyGZLUEFVDNROXSZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.79
Rot. Bonds

About 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69456074) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69456074
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1ccc2c(C)cc3n[nH]c(=O)n3c2c1
InChIInChI=1S/C12H11N3O/c1-7-3-4-9-8(2)6-11-13-14-12(16)15(11)10(9)5-7/h3-6H,1-2H3,(H,14,16)
InChIKeyGZLUEFVDNROXSZ-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69456074) is 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1ccc2c(C)cc3n[nH]c(=O)n3c2c1.
What is the InChIKey of 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is GZLUEFVDNROXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-3-4-9-8(2)6-11-13-14-12(16)15(11)10(9)5-7/h3-6H,1-2H3,(H,14,16).
What are the key properties of 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 213.24 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69456074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).