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

C6H9N3O — CID 130138998

IUPAC2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2=CNCCN12
InChIInChI=1S/C6H9N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h3,7H,1-2,4H2,(H,8,10)
InChIKeySZAABYKFSKTMHH-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.54
Rot. Bonds

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

2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 130138998) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID130138998
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2=CNCCN12
InChIInChI=1S/C6H9N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h3,7H,1-2,4H2,(H,8,10)
InChIKeySZAABYKFSKTMHH-UHFFFAOYSA-N
XLogP-0.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 130138998) is 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1NCC2=CNCCN12.
What is the InChIKey of 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is SZAABYKFSKTMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h3,7H,1-2,4H2,(H,8,10).
What are the key properties of 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 130138998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).