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

C14H26N4O — CID 79091243

IUPAC7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1CCC(CN)C(N2CCN3C(=O)NCC3C2)C1
InChIInChI=1S/C14H26N4O/c1-10-2-3-11(7-15)13(6-10)17-4-5-18-12(9-17)8-16-14(18)19/h10-13H,2-9,15H2,1H3,(H,16,19)
InChIKeyLQNDLXSZSFDTLO-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.46
Rot. Bonds2

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

7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091243) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091243
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1CCC(CN)C(N2CCN3C(=O)NCC3C2)C1
InChIInChI=1S/C14H26N4O/c1-10-2-3-11(7-15)13(6-10)17-4-5-18-12(9-17)8-16-14(18)19/h10-13H,2-9,15H2,1H3,(H,16,19)
InChIKeyLQNDLXSZSFDTLO-UHFFFAOYSA-N
XLogP0.46
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091243) is 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC1CCC(CN)C(N2CCN3C(=O)NCC3C2)C1.
What is the InChIKey of 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is LQNDLXSZSFDTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10-2-3-11(7-15)13(6-10)17-4-5-18-12(9-17)8-16-14(18)19/h10-13H,2-9,15H2,1H3,(H,16,19).
What are the key properties of 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 266.39 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).