2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H16N6O — CID 107052736

IUPAC2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCn1cc(CN2CC3CNCCN3C2=O)nn1
InChIInChI=1S/C10H16N6O/c1-14-5-8(12-13-14)6-15-7-9-4-11-2-3-16(9)10(15)17/h5,9,11H,2-4,6-7H2,1H3
InChIKeySSOHZJRBRJIQJG-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.98
Rot. Bonds2

About 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 107052736) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID107052736
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCn1cc(CN2CC3CNCCN3C2=O)nn1
InChIInChI=1S/C10H16N6O/c1-14-5-8(12-13-14)6-15-7-9-4-11-2-3-16(9)10(15)17/h5,9,11H,2-4,6-7H2,1H3
InChIKeySSOHZJRBRJIQJG-UHFFFAOYSA-N
XLogP-0.98
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrazol-3-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82875976
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092085
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091701
2-pentyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091777
2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 112651272
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
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
2-[(2-bromophenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092161

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 107052736) is 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cn1cc(CN2CC3CNCCN3C2=O)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is SSOHZJRBRJIQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-14-5-8(12-13-14)6-15-7-9-4-11-2-3-16(9)10(15)17/h5,9,11H,2-4,6-7H2,1H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 236.28 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 107052736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).