3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C13H13F2N3 — CID 103342092

IUPAC3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCc1cc(F)c(-c2cnc3n2CCNC3)cc1F
InChIInChI=1S/C13H13F2N3/c1-8-4-11(15)9(5-10(8)14)12-6-17-13-7-16-2-3-18(12)13/h4-6,16H,2-3,7H2,1H3
InChIKeyVMCYKXMFMGUOME-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.24
Rot. Bonds1

About 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 103342092) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID103342092
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCc1cc(F)c(-c2cnc3n2CCNC3)cc1F
InChIInChI=1S/C13H13F2N3/c1-8-4-11(15)9(5-10(8)14)12-6-17-13-7-16-2-3-18(12)13/h4-6,16H,2-3,7H2,1H3
InChIKeyVMCYKXMFMGUOME-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 103342092) is 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is Cc1cc(F)c(-c2cnc3n2CCNC3)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is VMCYKXMFMGUOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-4-11(15)9(5-10(8)14)12-6-17-13-7-16-2-3-18(12)13/h4-6,16H,2-3,7H2,1H3.
What are the key properties of 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 249.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 103342092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).