7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H20N4O3 — CID 79091429

IUPAC7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1(C(=O)N2CCN3C(=O)NCC3C2)COCC1N
InChIInChI=1S/C12H20N4O3/c1-12(7-19-6-9(12)13)10(17)15-2-3-16-8(5-15)4-14-11(16)18/h8-9H,2-7,13H2,1H3,(H,14,18)
InChIKeyVZPHDRYDRXARGP-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.41
Rot. Bonds1

About 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091429) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091429
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1(C(=O)N2CCN3C(=O)NCC3C2)COCC1N
InChIInChI=1S/C12H20N4O3/c1-12(7-19-6-9(12)13)10(17)15-2-3-16-8(5-15)4-14-11(16)18/h8-9H,2-7,13H2,1H3,(H,14,18)
InChIKeyVZPHDRYDRXARGP-UHFFFAOYSA-N
XLogP-1.41
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091429) is 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC1(C(=O)N2CCN3C(=O)NCC3C2)COCC1N.
What is the InChIKey of 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is VZPHDRYDRXARGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(7-19-6-9(12)13)10(17)15-2-3-16-8(5-15)4-14-11(16)18/h8-9H,2-7,13H2,1H3,(H,14,18).
What are the key properties of 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 268.32 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-3-methyloxolane-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).