2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H18N4O — CID 112651272

IUPAC2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccnc1CN1CC2CNCCN2C1=O
InChIInChI=1S/C13H18N4O/c1-10-3-2-4-15-12(10)9-16-8-11-7-14-5-6-17(11)13(16)18/h2-4,11,14H,5-9H2,1H3
InChIKeyGOKFNCXUTQREMQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.60
Rot. Bonds2

About 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 112651272) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID112651272
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccnc1CN1CC2CNCCN2C1=O
InChIInChI=1S/C13H18N4O/c1-10-3-2-4-15-12(10)9-16-8-11-7-14-5-6-17(11)13(16)18/h2-4,11,14H,5-9H2,1H3
InChIKeyGOKFNCXUTQREMQ-UHFFFAOYSA-N
XLogP0.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227
N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
CID 79095358
2-[(1-methylpyrazol-3-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82875976
2-[(2-bromophenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092161
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091465
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
2-[(3-bromothiophen-2-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091544
2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107052736
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091701
(3aR,6aS)-5-[(3-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660794
2-[2-(2-methoxyphenoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095390

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 112651272) is 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1cccnc1CN1CC2CNCCN2C1=O.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is GOKFNCXUTQREMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-3-2-4-15-12(10)9-16-8-11-7-14-5-6-17(11)13(16)18/h2-4,11,14H,5-9H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 112651272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).