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

C15H21N3O2 — CID 103960241

IUPAC7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC[C@H](O)c1ccccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H21N3O2/c1-2-14(19)12-5-3-4-6-13(12)17-7-8-18-11(10-17)9-16-15(18)20/h3-6,11,14,19H,2,7-10H2,1H3,(H,16,20)/t11?,14-/m0/s1
InChIKeyQAUXTUUNZAZMSJ-IAXJKZSUSA-N
MW275.35 g/mol
LogP1.34
Rot. Bonds3

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

7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 103960241) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID103960241
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC[C@H](O)c1ccccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C15H21N3O2/c1-2-14(19)12-5-3-4-6-13(12)17-7-8-18-11(10-17)9-16-15(18)20/h3-6,11,14,19H,2,7-10H2,1H3,(H,16,20)/t11?,14-/m0/s1
InChIKeyQAUXTUUNZAZMSJ-IAXJKZSUSA-N
XLogP1.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 103960241) is 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC[C@H](O)c1ccccc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is QAUXTUUNZAZMSJ-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-14(19)12-5-3-4-6-13(12)17-7-8-18-11(10-17)9-16-15(18)20/h3-6,11,14,19H,2,7-10H2,1H3,(H,16,20)/t11?,14-/m0/s1.
What are the key properties of 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 275.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 103960241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).