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

C6H9N3O — CID 66676095

IUPAC3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one
SMILESO=C1NCN2CCNC=C12
InChIInChI=1S/C6H9N3O/c10-6-5-3-7-1-2-9(5)4-8-6/h3,7H,1-2,4H2,(H,8,10)
InChIKeyOHCAVAQRXHGCLS-UHFFFAOYSA-N
MW139.16 g/mol
LogP-1.18
Rot. Bonds

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

3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one (PubChem CID 66676095) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one
PubChem CID66676095
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one
SMILESO=C1NCN2CCNC=C12
InChIInChI=1S/C6H9N3O/c10-6-5-3-7-1-2-9(5)4-8-6/h3,7H,1-2,4H2,(H,8,10)
InChIKeyOHCAVAQRXHGCLS-UHFFFAOYSA-N
XLogP-1.18
TPSA44.37 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 ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one?
The IUPAC name of 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one (CID 66676095) is 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one is O=C1NCN2CCNC=C12.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one?
The InChIKey is OHCAVAQRXHGCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-5-3-7-1-2-9(5)4-8-6/h3,7H,1-2,4H2,(H,8,10).
What are the key properties of 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one?
3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one has a molecular weight of 139.16 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-imidazo[1,5-a]pyrazin-1-one is sourced from PubChem (CID 66676095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).