1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one

C15H13N3O — CID 53172199

IUPAC1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one
SMILESC=CCn1ccn2cnc(-c3ccccc3)c2c1=O
InChIInChI=1S/C15H13N3O/c1-2-8-17-9-10-18-11-16-13(14(18)15(17)19)12-6-4-3-5-7-12/h2-7,9-11H,1,8H2
InChIKeyKDJHICZSJGEZJA-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.35
Rot. Bonds3

About 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one

1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one (PubChem CID 53172199) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one
PubChem CID53172199
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one
SMILESC=CCn1ccn2cnc(-c3ccccc3)c2c1=O
InChIInChI=1S/C15H13N3O/c1-2-8-17-9-10-18-11-16-13(14(18)15(17)19)12-6-4-3-5-7-12/h2-7,9-11H,1,8H2
InChIKeyKDJHICZSJGEZJA-UHFFFAOYSA-N
XLogP2.35
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one (CID 53172199) is 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one is C=CCn1ccn2cnc(-c3ccccc3)c2c1=O.
What is the InChIKey of 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is KDJHICZSJGEZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-8-17-9-10-18-11-16-13(14(18)15(17)19)12-6-4-3-5-7-12/h2-7,9-11H,1,8H2.
What are the key properties of 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one?
1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 251.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 53172199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).