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

C7H12ClN3O2 — CID 71755591

IUPAC2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCN1C(=O)C2CNCCN2C1=O.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-9-6(11)5-4-8-2-3-10(5)7(9)12;/h5,8H,2-4H2,1H3;1H
InChIKeyIXNWUFHBLWVUFX-UHFFFAOYSA-N
MW205.64 g/mol
LogP-0.73
Rot. Bonds

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

2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (PubChem CID 71755591) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
PubChem CID71755591
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCN1C(=O)C2CNCCN2C1=O.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-9-6(11)5-4-8-2-3-10(5)7(9)12;/h5,8H,2-4H2,1H3;1H
InChIKeyIXNWUFHBLWVUFX-UHFFFAOYSA-N
XLogP-0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 5-0.73
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-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The IUPAC name of 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (CID 71755591) is 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.
What is the SMILES notation for 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The canonical SMILES for 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is CN1C(=O)C2CNCCN2C1=O.Cl.
What is the InChIKey of 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The InChIKey is IXNWUFHBLWVUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-9-6(11)5-4-8-2-3-10(5)7(9)12;/h5,8H,2-4H2,1H3;1H.
What are the key properties of 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is sourced from PubChem (CID 71755591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).