5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one

C6H9N3O — CID 66676094

IUPAC5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one
SMILESO=c1[nH]cc2n1CCNC2
InChIInChI=1S/C6H9N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h4,7H,1-3H2,(H,8,10)
InChIKeyVVCASEPBRXAIBR-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.72
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one

5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 66676094) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one
PubChem CID66676094
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one
SMILESO=c1[nH]cc2n1CCNC2
InChIInChI=1S/C6H9N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h4,7H,1-3H2,(H,8,10)
InChIKeyVVCASEPBRXAIBR-UHFFFAOYSA-N
XLogP-0.72
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one (CID 66676094) is 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one is O=c1[nH]cc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is VVCASEPBRXAIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h4,7H,1-3H2,(H,8,10).
What are the key properties of 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one?
5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 66676094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).