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

C10H19N3O3 — CID 79091374

IUPAC2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCOCCO)CC2CNCCN12
InChIInChI=1S/C10H19N3O3/c14-4-6-16-5-3-12-8-9-7-11-1-2-13(9)10(12)15/h9,11,14H,1-8H2
InChIKeySIRLCHGKWJCGBK-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.30
Rot. Bonds5

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

2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091374) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091374
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCOCCO)CC2CNCCN12
InChIInChI=1S/C10H19N3O3/c14-4-6-16-5-3-12-8-9-7-11-1-2-13(9)10(12)15/h9,11,14H,1-8H2
InChIKeySIRLCHGKWJCGBK-UHFFFAOYSA-N
XLogP-1.30
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091374) is 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(CCOCCO)CC2CNCCN12.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is SIRLCHGKWJCGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c14-4-6-16-5-3-12-8-9-7-11-1-2-13(9)10(12)15/h9,11,14H,1-8H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 229.28 g/mol, XLogP of -1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).