1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one

C12H14ClN3O — CID 22024494

IUPAC1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one
SMILESCCCC(=O)c1c(CC)nc2c(Cl)nccn12
InChIInChI=1S/C12H14ClN3O/c1-3-5-9(17)10-8(4-2)15-12-11(13)14-6-7-16(10)12/h6-7H,3-5H2,1-2H3
InChIKeyZEHIZKXXODTBBR-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.93
Rot. Bonds4

About 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one

1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one (PubChem CID 22024494) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one
PubChem CID22024494
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one
SMILESCCCC(=O)c1c(CC)nc2c(Cl)nccn12
InChIInChI=1S/C12H14ClN3O/c1-3-5-9(17)10-8(4-2)15-12-11(13)14-6-7-16(10)12/h6-7H,3-5H2,1-2H3
InChIKeyZEHIZKXXODTBBR-UHFFFAOYSA-N
XLogP2.93
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one?
The IUPAC name of 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one (CID 22024494) is 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one.
What is the SMILES notation for 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one?
The canonical SMILES for 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one is CCCC(=O)c1c(CC)nc2c(Cl)nccn12.
What is the InChIKey of 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one?
The InChIKey is ZEHIZKXXODTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-5-9(17)10-8(4-2)15-12-11(13)14-6-7-16(10)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one?
1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one has a molecular weight of 251.72 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)butan-1-one is sourced from PubChem (CID 22024494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).