2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one

C9H15N3O — CID 59872721

IUPAC2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESC=C1N(C)C(=O)N2CCNCC12C
InChIInChI=1S/C9H15N3O/c1-7-9(2)6-10-4-5-12(9)8(13)11(7)3/h10H,1,4-6H2,2-3H3
InChIKeyAZHSESCXBUCCGU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.23
Rot. Bonds

About 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one

2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 59872721) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID59872721
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESC=C1N(C)C(=O)N2CCNCC12C
InChIInChI=1S/C9H15N3O/c1-7-9(2)6-10-4-5-12(9)8(13)11(7)3/h10H,1,4-6H2,2-3H3
InChIKeyAZHSESCXBUCCGU-UHFFFAOYSA-N
XLogP0.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one (CID 59872721) is 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one is C=C1N(C)C(=O)N2CCNCC12C.
What is the InChIKey of 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is AZHSESCXBUCCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-9(2)6-10-4-5-12(9)8(13)11(7)3/h10H,1,4-6H2,2-3H3.
What are the key properties of 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one?
2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8a-dimethyl-1-methylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 59872721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).