6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride

C11H14ClN5O — CID 89488478

IUPAC6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride
SMILESCC1NCCn2c(-c3cccc(=O)[nH]3)nnc21.Cl
InChIInChI=1S/C11H13N5O.ClH/c1-7-10-14-15-11(16(10)6-5-12-7)8-3-2-4-9(17)13-8;/h2-4,7,12H,5-6H2,1H3,(H,13,17);1H
InChIKeyFGYVZIZYWDGOTC-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.72
Rot. Bonds1

About 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride

6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride (PubChem CID 89488478) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride
PubChem CID89488478
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride
SMILESCC1NCCn2c(-c3cccc(=O)[nH]3)nnc21.Cl
InChIInChI=1S/C11H13N5O.ClH/c1-7-10-14-15-11(16(10)6-5-12-7)8-3-2-4-9(17)13-8;/h2-4,7,12H,5-6H2,1H3,(H,13,17);1H
InChIKeyFGYVZIZYWDGOTC-UHFFFAOYSA-N
XLogP0.72
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride with MolForge

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Related Compounds

6-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
CID 71550466
6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
CID 71550467
6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 89488479
ethene;6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 145556960
2-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53571981
2-[[(2-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 53593192
2-[[(2-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53595796
2-[[(2-Propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53625246
2-[[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62671072
5-amino-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-2-one
CID 64577280
5-amino-1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one
CID 64577664
6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 75534495

Frequently Asked Questions

What is the IUPAC name of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride (CID 89488478) is 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride is CC1NCCn2c(-c3cccc(=O)[nH]3)nnc21.Cl.
What is the InChIKey of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is FGYVZIZYWDGOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O.ClH/c1-7-10-14-15-11(16(10)6-5-12-7)8-3-2-4-9(17)13-8;/h2-4,7,12H,5-6H2,1H3,(H,13,17);1H.
What are the key properties of 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride?
6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 89488478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).