5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile

C12H15F3N4 — CID 55009048

IUPAC5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(CC(F)(F)F)C(C)C)c(C#N)c1C
InChIInChI=1S/C12H15F3N4/c1-7(2)19(6-12(13,14)15)11-10(5-16)8(3)9(4)17-18-11/h7H,6H2,1-4H3
InChIKeyHYJXHYHJBAJQHQ-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.74
Rot. Bonds3

About 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (PubChem CID 55009048) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
PubChem CID55009048
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(CC(F)(F)F)C(C)C)c(C#N)c1C
InChIInChI=1S/C12H15F3N4/c1-7(2)19(6-12(13,14)15)11-10(5-16)8(3)9(4)17-18-11/h7H,6H2,1-4H3
InChIKeyHYJXHYHJBAJQHQ-UHFFFAOYSA-N
XLogP2.74
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (CID 55009048) is 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is Cc1nnc(N(CC(F)(F)F)C(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is HYJXHYHJBAJQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-7(2)19(6-12(13,14)15)11-10(5-16)8(3)9(4)17-18-11/h7H,6H2,1-4H3.
What are the key properties of 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 272.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 55009048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).