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

C12H15F3N4 — CID 55008899

IUPAC5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCCCN(CC(F)(F)F)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C12H15F3N4/c1-4-5-19(7-12(13,14)15)11-10(6-16)8(2)9(3)17-18-11/h4-5,7H2,1-3H3
InChIKeyQUBFREZRBNLQSQ-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.74
Rot. Bonds4

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

5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (PubChem CID 55008899) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
PubChem CID55008899
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCCCN(CC(F)(F)F)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C12H15F3N4/c1-4-5-19(7-12(13,14)15)11-10(6-16)8(2)9(3)17-18-11/h4-5,7H2,1-3H3
InChIKeyQUBFREZRBNLQSQ-UHFFFAOYSA-N
XLogP2.74
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (CID 55008899) is 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is CCCN(CC(F)(F)F)c1nnc(C)c(C)c1C#N.
What is the InChIKey of 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is QUBFREZRBNLQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-4-5-19(7-12(13,14)15)11-10(6-16)8(2)9(3)17-18-11/h4-5,7H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 272.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 55008899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).