7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H26N4O2 — CID 79095414

IUPAC7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCC1CCC(CC(=O)N2CCN3C(=O)NCC3C2)CC1
InChIInChI=1S/C15H26N4O2/c16-8-12-3-1-11(2-4-12)7-14(20)18-5-6-19-13(10-18)9-17-15(19)21/h11-13H,1-10,16H2,(H,17,21)
InChIKeyNMKUWTKTCMGTTR-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.38
Rot. Bonds3

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

7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095414) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095414
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCC1CCC(CC(=O)N2CCN3C(=O)NCC3C2)CC1
InChIInChI=1S/C15H26N4O2/c16-8-12-3-1-11(2-4-12)7-14(20)18-5-6-19-13(10-18)9-17-15(19)21/h11-13H,1-10,16H2,(H,17,21)
InChIKeyNMKUWTKTCMGTTR-UHFFFAOYSA-N
XLogP0.38
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(azetidin-3-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091353
7-(4-aminobutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091744
7-[1-(aminomethyl)cyclopropanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80598198
5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79092252
7-[4-(2-aminoethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096433
7-(2-aminopropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091194
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
7-(3-amino-2,2-dimethylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 119819846
N-cyclopropyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 115682833
7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094685
7-(2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031951
2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63611894

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095414) is 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCC1CCC(CC(=O)N2CCN3C(=O)NCC3C2)CC1.
What is the InChIKey of 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NMKUWTKTCMGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c16-8-12-3-1-11(2-4-12)7-14(20)18-5-6-19-13(10-18)9-17-15(19)21/h11-13H,1-10,16H2,(H,17,21).
What are the key properties of 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).