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

C14H26N4O2 — CID 79091430

IUPAC7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)C[C@H](CN)CC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H26N4O2/c1-10(2)5-11(7-15)6-13(19)17-3-4-18-12(9-17)8-16-14(18)20/h10-12H,3-9,15H2,1-2H3,(H,16,20)/t11-,12?/m0/s1
InChIKeyOQNPQKICUJABLF-PXYINDEMSA-N
MW282.39 g/mol
LogP0.23
Rot. Bonds5

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

7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091430) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091430
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)C[C@H](CN)CC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H26N4O2/c1-10(2)5-11(7-15)6-13(19)17-3-4-18-12(9-17)8-16-14(18)20/h10-12H,3-9,15H2,1-2H3,(H,16,20)/t11-,12?/m0/s1
InChIKeyOQNPQKICUJABLF-PXYINDEMSA-N
XLogP0.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091430) is 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(C)C[C@H](CN)CC(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OQNPQKICUJABLF-PXYINDEMSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)5-11(7-15)6-13(19)17-3-4-18-12(9-17)8-16-14(18)20/h10-12H,3-9,15H2,1-2H3,(H,16,20)/t11-,12?/m0/s1.
What are the key properties of 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 282.39 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).