7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H20N6O2 — CID 79095527

IUPAC7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1nn(CC(=O)N2CCN3C(=O)NCC3C2)c(C)c1N
InChIInChI=1S/C13H20N6O2/c1-8-12(14)9(2)19(16-8)7-11(20)17-3-4-18-10(6-17)5-15-13(18)21/h10H,3-7,14H2,1-2H3,(H,15,21)
InChIKeyPVEBAWRRMKXDMI-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.68
Rot. Bonds2

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

7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095527) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095527
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1nn(CC(=O)N2CCN3C(=O)NCC3C2)c(C)c1N
InChIInChI=1S/C13H20N6O2/c1-8-12(14)9(2)19(16-8)7-11(20)17-3-4-18-10(6-17)5-15-13(18)21/h10H,3-7,14H2,1-2H3,(H,15,21)
InChIKeyPVEBAWRRMKXDMI-UHFFFAOYSA-N
XLogP-0.68
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43502718
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 43445186
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091353
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095414
7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095534
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418370
7-[4-(2-aminoethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096433
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283507
7-(2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031951

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095527) is 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1nn(CC(=O)N2CCN3C(=O)NCC3C2)c(C)c1N.
What is the InChIKey of 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is PVEBAWRRMKXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-8-12(14)9(2)19(16-8)7-11(20)17-3-4-18-10(6-17)5-15-13(18)21/h10H,3-7,14H2,1-2H3,(H,15,21).
What are the key properties of 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 292.34 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).