9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid

C13H12N4O3 — CID 10016057

IUPAC9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc3nn(C)nc3c21
InChIInChI=1S/C13H12N4O3/c1-3-17-6-8(13(19)20)12(18)7-4-5-9-10(11(7)17)15-16(2)14-9/h4-6H,3H2,1-2H3,(H,19,20)
InChIKeyQGGWYJOREWTTHL-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.00
Rot. Bonds2

About 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid

9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 10016057) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
PubChem CID10016057
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc3nn(C)nc3c21
InChIInChI=1S/C13H12N4O3/c1-3-17-6-8(13(19)20)12(18)7-4-5-9-10(11(7)17)15-16(2)14-9/h4-6H,3H2,1-2H3,(H,19,20)
InChIKeyQGGWYJOREWTTHL-UHFFFAOYSA-N
XLogP1.00
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid (CID 10016057) is 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc3nn(C)nc3c21.
What is the InChIKey of 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is QGGWYJOREWTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-3-17-6-8(13(19)20)12(18)7-4-5-9-10(11(7)17)15-16(2)14-9/h4-6H,3H2,1-2H3,(H,19,20).
What are the key properties of 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 10016057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).