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

C16H30N4O — CID 79095730

IUPAC7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCCC1CCC(CN)C(N2CCN3C(=O)NCC3C2)C1
InChIInChI=1S/C16H30N4O/c1-2-3-12-4-5-13(9-17)15(8-12)19-6-7-20-14(11-19)10-18-16(20)21/h12-15H,2-11,17H2,1H3,(H,18,21)
InChIKeyGTXWQHIICIVOBP-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.24
Rot. Bonds4

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

7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095730) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095730
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCCC1CCC(CN)C(N2CCN3C(=O)NCC3C2)C1
InChIInChI=1S/C16H30N4O/c1-2-3-12-4-5-13(9-17)15(8-12)19-6-7-20-14(11-19)10-18-16(20)21/h12-15H,2-11,17H2,1H3,(H,18,21)
InChIKeyGTXWQHIICIVOBP-UHFFFAOYSA-N
XLogP1.24
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[2-(aminomethyl)-5-propylcyclohexyl]-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-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095730) is 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCCC1CCC(CN)C(N2CCN3C(=O)NCC3C2)C1.
What is the InChIKey of 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is GTXWQHIICIVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-2-3-12-4-5-13(9-17)15(8-12)19-6-7-20-14(11-19)10-18-16(20)21/h12-15H,2-11,17H2,1H3,(H,18,21).
What are the key properties of 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 294.44 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).