2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride

C8H14ClN3O2 — CID 71755552

IUPAC2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCCN1C(=O)C2CNCCN2C1=O.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-2-10-7(12)6-5-9-3-4-11(6)8(10)13;/h6,9H,2-5H2,1H3;1H
InChIKeyBGOMZIYEPFMCES-UHFFFAOYSA-N
MW219.67 g/mol
LogP-0.34
Rot. Bonds1

About 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride

2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (PubChem CID 71755552) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
PubChem CID71755552
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCCN1C(=O)C2CNCCN2C1=O.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-2-10-7(12)6-5-9-3-4-11(6)8(10)13;/h6,9H,2-5H2,1H3;1H
InChIKeyBGOMZIYEPFMCES-UHFFFAOYSA-N
XLogP-0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The IUPAC name of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (CID 71755552) is 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.
What is the SMILES notation for 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The canonical SMILES for 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is CCN1C(=O)C2CNCCN2C1=O.Cl.
What is the InChIKey of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The InChIKey is BGOMZIYEPFMCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-2-10-7(12)6-5-9-3-4-11(6)8(10)13;/h6,9H,2-5H2,1H3;1H.
What are the key properties of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is sourced from PubChem (CID 71755552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).