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

C9H17N3O2 — CID 79092085

IUPAC2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCCO)CC2CNCCN12
InChIInChI=1S/C9H17N3O2/c13-5-1-3-11-7-8-6-10-2-4-12(8)9(11)14/h8,10,13H,1-7H2
InChIKeyVNWPDNOFDVMOIE-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.92
Rot. Bonds3

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

2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79092085) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79092085
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCCO)CC2CNCCN12
InChIInChI=1S/C9H17N3O2/c13-5-1-3-11-7-8-6-10-2-4-12(8)9(11)14/h8,10,13H,1-7H2
InChIKeyVNWPDNOFDVMOIE-UHFFFAOYSA-N
XLogP-0.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one
CID 70418650
2-(2-Hydroxyethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091612
(8S,8aS)-2-tert-butyl-8-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 118353972
2-Tert-butyl-8-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 118353973
(8R,8aS)-2-tert-butyl-8-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 118353975
(8S,8aR)-2-tert-butyl-8-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 118359730
(8aS)-2-(4-hydroxy-3,3-dimethylbutyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137382689
(8S)-2-tert-butyl-8-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137382804
(8aR)-2-tert-butyl-8-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 139538459
N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 140883898
(8R,8aR)-2-tert-butyl-8-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 154378074
3-Aminopropan-1-ol;carbon dioxide;1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazinan-2-one
CID 158924537

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79092085) is 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(CCCO)CC2CNCCN12.
What is the InChIKey of 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is VNWPDNOFDVMOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-5-1-3-11-7-8-6-10-2-4-12(8)9(11)14/h8,10,13H,1-7H2.
What are the key properties of 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 199.25 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79092085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).