1-(triazolo[1,5-a]quinolin-3-yl)ethanone

C12H9N3O — CID 121013367

IUPAC1-(triazolo[1,5-a]quinolin-3-yl)ethanone
SMILESCC(=O)c1nnn2c1ccc1ccccc12
InChIInChI=1S/C12H9N3O/c1-8(16)12-11-7-6-9-4-2-3-5-10(9)15(11)14-13-12/h2-7H,1H3
InChIKeyGIDFMLAFTBMKEW-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.09
Rot. Bonds1

About 1-(triazolo[1,5-a]quinolin-3-yl)ethanone

1-(triazolo[1,5-a]quinolin-3-yl)ethanone (PubChem CID 121013367) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(triazolo[1,5-a]quinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(triazolo[1,5-a]quinolin-3-yl)ethanone
PubChem CID121013367
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name1-(triazolo[1,5-a]quinolin-3-yl)ethanone
SMILESCC(=O)c1nnn2c1ccc1ccccc12
InChIInChI=1S/C12H9N3O/c1-8(16)12-11-7-6-9-4-2-3-5-10(9)15(11)14-13-12/h2-7H,1H3
InChIKeyGIDFMLAFTBMKEW-UHFFFAOYSA-N
XLogP2.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-oxotriazolo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 132557247
imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 141139843
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
CID 94939684
2-methylpyrazolo[1,5-a]quinoline
CID 15620343
1-(1-ethyl-5-phenyltriazol-4-yl)ethanone
CID 82207520
12-acetyl-13-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1,4,6,8,11,14,16,18,20-nonaene-3,10-dione
CID 12067049
1-indol-1-ylethanone;hydrochloride
CID 21333501
methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 821571
ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
CID 10848731
1-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 83876946
(2-oxoquinolin-1-yl) acetate
CID 21299138

Frequently Asked Questions

What is the IUPAC name of 1-(triazolo[1,5-a]quinolin-3-yl)ethanone?
The IUPAC name of 1-(triazolo[1,5-a]quinolin-3-yl)ethanone (CID 121013367) is 1-(triazolo[1,5-a]quinolin-3-yl)ethanone.
What is the SMILES notation for 1-(triazolo[1,5-a]quinolin-3-yl)ethanone?
The canonical SMILES for 1-(triazolo[1,5-a]quinolin-3-yl)ethanone is CC(=O)c1nnn2c1ccc1ccccc12.
What is the InChIKey of 1-(triazolo[1,5-a]quinolin-3-yl)ethanone?
The InChIKey is GIDFMLAFTBMKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-8(16)12-11-7-6-9-4-2-3-5-10(9)15(11)14-13-12/h2-7H,1H3.
What are the key properties of 1-(triazolo[1,5-a]quinolin-3-yl)ethanone?
1-(triazolo[1,5-a]quinolin-3-yl)ethanone has a molecular weight of 211.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazolo[1,5-a]quinolin-3-yl)ethanone is sourced from PubChem (CID 121013367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).