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

C11H13N5O — CID 71550467

IUPAC6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
SMILESC[C@@H]1NCCn2c(-c3cccc(=O)[nH]3)nnc21
InChIInChI=1S/C11H13N5O/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)/t7-/m0/s1
InChIKeyYYEUYAHLSYOWKV-ZETCQYMHSA-N
MW231.26 g/mol
LogP0.30
Rot. Bonds1

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

6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one (PubChem CID 71550467) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
PubChem CID71550467
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
SMILESC[C@@H]1NCCn2c(-c3cccc(=O)[nH]3)nnc21
InChIInChI=1S/C11H13N5O/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)/t7-/m0/s1
InChIKeyYYEUYAHLSYOWKV-ZETCQYMHSA-N
XLogP0.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one
CID 95833584
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-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride
CID 89488478
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]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 53571065
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
9-methyl-2-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53574847
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-[(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53609284
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

Frequently Asked Questions

What is the IUPAC name of 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 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) is 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one is C[C@@H]1NCCn2c(-c3cccc(=O)[nH]3)nnc21.
What is the InChIKey of 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
The InChIKey is YYEUYAHLSYOWKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N5O/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)/t7-/m0/s1.
What are the key properties of 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one has a molecular weight of 231.26 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 71550467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).