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

C12H20N4O2 — CID 79091511

IUPAC7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)(C(=O)N1CCN2C(=O)NCC2C1)C1CC1
InChIInChI=1S/C12H20N4O2/c1-12(13,8-2-3-8)10(17)15-4-5-16-9(7-15)6-14-11(16)18/h8-9H,2-7,13H2,1H3,(H,14,18)
InChIKeyDTMNZYWXJJOEIP-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.65
Rot. Bonds2

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

7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091511) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091511
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)(C(=O)N1CCN2C(=O)NCC2C1)C1CC1
InChIInChI=1S/C12H20N4O2/c1-12(13,8-2-3-8)10(17)15-4-5-16-9(7-15)6-14-11(16)18/h8-9H,2-7,13H2,1H3,(H,14,18)
InChIKeyDTMNZYWXJJOEIP-UHFFFAOYSA-N
XLogP-0.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091511) is 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(N)(C(=O)N1CCN2C(=O)NCC2C1)C1CC1.
What is the InChIKey of 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is DTMNZYWXJJOEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(13,8-2-3-8)10(17)15-4-5-16-9(7-15)6-14-11(16)18/h8-9H,2-7,13H2,1H3,(H,14,18).
What are the key properties of 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 252.32 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-2-cyclopropylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).