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

C6H9N3O — CID 19019125

IUPAC2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one
SMILESO=C1CN=CC2NCCN12
InChIInChI=1S/C6H9N3O/c10-6-4-7-3-5-8-1-2-9(5)6/h3,5,8H,1-2,4H2
InChIKeyKNMRGEOPWNOOSJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-1.17
Rot. Bonds

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

2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one (PubChem CID 19019125) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one.

Molecular Properties

Compound Name2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one
PubChem CID19019125
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one
SMILESO=C1CN=CC2NCCN12
InChIInChI=1S/C6H9N3O/c10-6-4-7-3-5-8-1-2-9(5)6/h3,5,8H,1-2,4H2
InChIKeyKNMRGEOPWNOOSJ-UHFFFAOYSA-N
XLogP-1.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one?
The IUPAC name of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one (CID 19019125) is 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one.
What is the SMILES notation for 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one?
The canonical SMILES for 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one is O=C1CN=CC2NCCN12.
What is the InChIKey of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one?
The InChIKey is KNMRGEOPWNOOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-4-7-3-5-8-1-2-9(5)6/h3,5,8H,1-2,4H2.
What are the key properties of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one?
2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one has a molecular weight of 139.16 g/mol, XLogP of -1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-5-one is sourced from PubChem (CID 19019125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).