5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile

C16H17F3N6 — CID 129334996

IUPAC5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c(C#N)c1C
InChIInChI=1S/C16H17F3N6/c1-9-10(2)23-24-15(12(9)5-20)21-6-11-3-4-14-22-13(16(17,18)19)8-25(14)7-11/h8,11H,3-4,6-7H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyONHJOXNKHFXMDZ-LLVKDONJSA-N
MW350.35 g/mol
LogP2.85
Rot. Bonds3

About 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile (PubChem CID 129334996) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile
PubChem CID129334996
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC Name5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c(C#N)c1C
InChIInChI=1S/C16H17F3N6/c1-9-10(2)23-24-15(12(9)5-20)21-6-11-3-4-14-22-13(16(17,18)19)8-25(14)7-11/h8,11H,3-4,6-7H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyONHJOXNKHFXMDZ-LLVKDONJSA-N
XLogP2.85
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile (CID 129334996) is 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile is Cc1nnc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile?
The InChIKey is ONHJOXNKHFXMDZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F3N6/c1-9-10(2)23-24-15(12(9)5-20)21-6-11-3-4-14-22-13(16(17,18)19)8-25(14)7-11/h8,11H,3-4,6-7H2,1-2H3,(H,21,24)/t11-/m1/s1.
What are the key properties of 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile has a molecular weight of 350.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 129334996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).