8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile

C17H16F2N6O2 — CID 171368317

IUPAC8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(C3CCC(F)(F)CC3)cc(C3CNC(=O)NC3=O)nn12
InChIInChI=1S/C17H16F2N6O2/c18-17(19)3-1-9(2-4-17)11-5-13(12-8-22-16(27)23-15(12)26)24-25-10(6-20)7-21-14(11)25/h5,7,9,12H,1-4,8H2,(H2,22,23,26,27)
InChIKeyLLOLEYQEMUDXNT-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.82
Rot. Bonds2

About 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile

8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 171368317) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID171368317
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC Name8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(C3CCC(F)(F)CC3)cc(C3CNC(=O)NC3=O)nn12
InChIInChI=1S/C17H16F2N6O2/c18-17(19)3-1-9(2-4-17)11-5-13(12-8-22-16(27)23-15(12)26)24-25-10(6-20)7-21-14(11)25/h5,7,9,12H,1-4,8H2,(H2,22,23,26,27)
InChIKeyLLOLEYQEMUDXNT-UHFFFAOYSA-N
XLogP1.82
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 171368317) is 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2c(C3CCC(F)(F)CC3)cc(C3CNC(=O)NC3=O)nn12.
What is the InChIKey of 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is LLOLEYQEMUDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c18-17(19)3-1-9(2-4-17)11-5-13(12-8-22-16(27)23-15(12)26)24-25-10(6-20)7-21-14(11)25/h5,7,9,12H,1-4,8H2,(H2,22,23,26,27).
What are the key properties of 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile?
8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 374.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluorocyclohexyl)-6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 171368317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).