5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile

C14H15F3N4 — CID 139021570

IUPAC5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2C[C@@H]3CC[C@]3(C(F)(F)F)C2)c(C#N)c1C
InChIInChI=1S/C14H15F3N4/c1-8-9(2)19-20-12(11(8)5-18)21-6-10-3-4-13(10,7-21)14(15,16)17/h10H,3-4,6-7H2,1-2H3/t10-,13-/m0/s1
InChIKeyAJURUERHYHMSFL-GWCFXTLKSA-N
MW296.30 g/mol
LogP2.74
Rot. Bonds1

About 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile (PubChem CID 139021570) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile
PubChem CID139021570
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2C[C@@H]3CC[C@]3(C(F)(F)F)C2)c(C#N)c1C
InChIInChI=1S/C14H15F3N4/c1-8-9(2)19-20-12(11(8)5-18)21-6-10-3-4-13(10,7-21)14(15,16)17/h10H,3-4,6-7H2,1-2H3/t10-,13-/m0/s1
InChIKeyAJURUERHYHMSFL-GWCFXTLKSA-N
XLogP2.74
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile (CID 139021570) is 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile is Cc1nnc(N2C[C@@H]3CC[C@]3(C(F)(F)F)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile?
The InChIKey is AJURUERHYHMSFL-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-8-9(2)19-20-12(11(8)5-18)21-6-10-3-4-13(10,7-21)14(15,16)17/h10H,3-4,6-7H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile has a molecular weight of 296.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 139021570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).