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

C10H15N3O2 — CID 75536963

IUPAC(8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(C1CC1)N1CCN2C(=O)NC[C@H]2C1
InChIInChI=1S/C10H15N3O2/c14-9(7-1-2-7)12-3-4-13-8(6-12)5-11-10(13)15/h7-8H,1-6H2,(H,11,15)/t8-/m0/s1
InChIKeyMBFIKWFSKGANDZ-QMMMGPOBSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds1

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

(8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 75536963) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID75536963
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(C1CC1)N1CCN2C(=O)NC[C@H]2C1
InChIInChI=1S/C10H15N3O2/c14-9(7-1-2-7)12-3-4-13-8(6-12)5-11-10(13)15/h7-8H,1-6H2,(H,11,15)/t8-/m0/s1
InChIKeyMBFIKWFSKGANDZ-QMMMGPOBSA-N
XLogP-0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 75536963) is (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C(C1CC1)N1CCN2C(=O)NC[C@H]2C1.
What is the InChIKey of (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is MBFIKWFSKGANDZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9(7-1-2-7)12-3-4-13-8(6-12)5-11-10(13)15/h7-8H,1-6H2,(H,11,15)/t8-/m0/s1.
What are the key properties of (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 209.25 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-(cyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75536963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).