7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C12H17N3O2 — CID 139558189

IUPAC7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2cnc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C12H17N3O2/c1-14-7-10-6-13-12(15(10)8-11(14)16)9-2-4-17-5-3-9/h6,9H,2-5,7-8H2,1H3
InChIKeyKDMYARXXSVXDKE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.75
Rot. Bonds1

About 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558189) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558189
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2cnc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C12H17N3O2/c1-14-7-10-6-13-12(15(10)8-11(14)16)9-2-4-17-5-3-9/h6,9H,2-5,7-8H2,1H3
InChIKeyKDMYARXXSVXDKE-UHFFFAOYSA-N
XLogP0.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Related Compounds

US10858362, Example 4
CID 122652213
US10858362, Example 66--trans
CID 122652228
US10858362, Example 62
CID 122652305
US10858362, Example 65
CID 122652324
US10858362, Example 63
CID 122652331
US10858362, Example 60
CID 122652455
US10858362, Example 59
CID 122652457
2-cyclopropyl-N-[[7-(oxane-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382118
N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97382126
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one
CID 97440547
Oxan-4-yl-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467045
[3-(Morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(oxan-4-yl)methanone
CID 97467067

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558189) is 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2cnc(C3CCOCC3)n2CC1=O.
What is the InChIKey of 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is KDMYARXXSVXDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-7-10-6-13-12(15(10)8-11(14)16)9-2-4-17-5-3-9/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).