3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one

C16H17N3O — CID 90167834

IUPAC3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one
SMILESCCc1c(-c2ccccc2)nc2c(=O)n(CC)ccn12
InChIInChI=1S/C16H17N3O/c1-3-13-14(12-8-6-5-7-9-12)17-15-16(20)18(4-2)10-11-19(13)15/h5-11H,3-4H2,1-2H3
InChIKeyCJSCZOMXSUBMEZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.75
Rot. Bonds3

About 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one

3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one (PubChem CID 90167834) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one
PubChem CID90167834
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one
SMILESCCc1c(-c2ccccc2)nc2c(=O)n(CC)ccn12
InChIInChI=1S/C16H17N3O/c1-3-13-14(12-8-6-5-7-9-12)17-15-16(20)18(4-2)10-11-19(13)15/h5-11H,3-4H2,1-2H3
InChIKeyCJSCZOMXSUBMEZ-UHFFFAOYSA-N
XLogP2.75
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one (CID 90167834) is 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one is CCc1c(-c2ccccc2)nc2c(=O)n(CC)ccn12.
What is the InChIKey of 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is CJSCZOMXSUBMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-13-14(12-8-6-5-7-9-12)17-15-16(20)18(4-2)10-11-19(13)15/h5-11H,3-4H2,1-2H3.
What are the key properties of 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one?
3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 267.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-2-phenylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 90167834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).