5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C16H12N4O — CID 10333656

IUPAC5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21)
InChIKeyPKZCGWBROCHAKF-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.55
Rot. Bonds1

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

5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 10333656) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID10333656
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21)
InChIKeyPKZCGWBROCHAKF-UHFFFAOYSA-N
XLogP2.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-8-(1h-Pyrrol-2-Yl)[1,2,4]triazolo[4,3-A]quinolin-1(2h)-One
CID 46934729
4-(2,3-dimethylphenyl)-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
CID 971346
5-(aminomethyl)-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 9993745
5-amino-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10355488
5-amino-2-benzyl-7-(pyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
CID 44217845
5-methyl-8-(pyridin-3-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865496
5-methyl-8-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865546
5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69453348
5-[(4-methylpiperazin-1-yl)methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454072
5-[(2-aminoethylamino)methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454772
5-[[2-(dimethylamino)ethylamino]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454833
5-[(dimethylamino)methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69455555

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 10333656) is 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12.
What is the InChIKey of 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is PKZCGWBROCHAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21).
What are the key properties of 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 276.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 10333656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).