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

C16H12N4O2 — CID 69453348

IUPAC5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CO)c3ccc(-c4ccncc4)cc3n12
InChIInChI=1S/C16H12N4O2/c21-9-12-8-15-18-19-16(22)20(15)14-7-11(1-2-13(12)14)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,19,22)
InChIKeyKXBNAUCEQGAYOR-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.73
Rot. Bonds2

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

5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69453348) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69453348
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CO)c3ccc(-c4ccncc4)cc3n12
InChIInChI=1S/C16H12N4O2/c21-9-12-8-15-18-19-16(22)20(15)14-7-11(1-2-13(12)14)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,19,22)
InChIKeyKXBNAUCEQGAYOR-UHFFFAOYSA-N
XLogP1.73
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
CID 10333656
5-(Hydroxymethyl)-8-(1h-Pyrrol-2-Yl)-2h-[1,2,4]triazolo[4,3-A]quinolin-1-One
CID 57345538
5-methyl-8-(pyridin-3-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865496
5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69455865
5-methyl-8-pyridin-1-ium-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 136246367
4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10469561
5-(1-hydroxy-2-phenylethyl)-6-propan-2-yl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69481629
5-[hydroxy(phenyl)methyl]-4-pyridin-3-yl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50970151
3-[(S)-hydroxy(phenyl)methyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
CID 95132014
3-[(R)-hydroxy(phenyl)methyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
CID 95132015

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69453348) is 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2cc(CO)c3ccc(-c4ccncc4)cc3n12.
What is the InChIKey of 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is KXBNAUCEQGAYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-9-12-8-15-18-19-16(22)20(15)14-7-11(1-2-13(12)14)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,19,22).
What are the key properties of 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 292.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69453348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).