3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine

C12H21F2N3 — CID 166586188

IUPAC3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
SMILESFC1CCC(C2CNC3CNCCN32)CC1F
InChIInChI=1S/C12H21F2N3/c13-9-2-1-8(5-10(9)14)11-6-16-12-7-15-3-4-17(11)12/h8-12,15-16H,1-7H2
InChIKeyPIDNRDBHMUIHBX-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.67
Rot. Bonds1

About 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine

3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine (PubChem CID 166586188) has the molecular formula C12H21F2N3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
PubChem CID166586188
Molecular FormulaC12H21F2N3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
SMILESFC1CCC(C2CNC3CNCCN32)CC1F
InChIInChI=1S/C12H21F2N3/c13-9-2-1-8(5-10(9)14)11-6-16-12-7-15-3-4-17(11)12/h8-12,15-16H,1-7H2
InChIKeyPIDNRDBHMUIHBX-UHFFFAOYSA-N
XLogP0.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine (CID 166586188) is 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine is FC1CCC(C2CNC3CNCCN32)CC1F.
What is the InChIKey of 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The InChIKey is PIDNRDBHMUIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3/c13-9-2-1-8(5-10(9)14)11-6-16-12-7-15-3-4-17(11)12/h8-12,15-16H,1-7H2.
What are the key properties of 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine has a molecular weight of 245.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 166586188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).