1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one

C9H8ClN3O — CID 134369304

IUPAC1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cn2ccnc(Cl)c2n1
InChIInChI=1S/C9H8ClN3O/c1-2-7(14)6-5-13-4-3-11-8(10)9(13)12-6/h3-5H,2H2,1H3
InChIKeyOHXBIVKXSAETNB-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.98
Rot. Bonds2

About 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one

1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one (PubChem CID 134369304) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one
PubChem CID134369304
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cn2ccnc(Cl)c2n1
InChIInChI=1S/C9H8ClN3O/c1-2-7(14)6-5-13-4-3-11-8(10)9(13)12-6/h3-5H,2H2,1H3
InChIKeyOHXBIVKXSAETNB-UHFFFAOYSA-N
XLogP1.98
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one?
The IUPAC name of 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one (CID 134369304) is 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one.
What is the SMILES notation for 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one?
The canonical SMILES for 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one is CCC(=O)c1cn2ccnc(Cl)c2n1.
What is the InChIKey of 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one?
The InChIKey is OHXBIVKXSAETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-2-7(14)6-5-13-4-3-11-8(10)9(13)12-6/h3-5H,2H2,1H3.
What are the key properties of 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one?
1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one has a molecular weight of 209.64 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroimidazo[1,2-a]pyrazin-2-yl)propan-1-one is sourced from PubChem (CID 134369304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).