5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile

C10H10F3N3O — CID 66277183

IUPAC5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OC(C)C(F)(F)F)c(C#N)c1C
InChIInChI=1S/C10H10F3N3O/c1-5-6(2)15-16-9(8(5)4-14)17-7(3)10(11,12)13/h7H,1-3H3
InChIKeyWUSPBOUSHHSNNN-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.29
Rot. Bonds2

About 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile

5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile (PubChem CID 66277183) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile
PubChem CID66277183
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OC(C)C(F)(F)F)c(C#N)c1C
InChIInChI=1S/C10H10F3N3O/c1-5-6(2)15-16-9(8(5)4-14)17-7(3)10(11,12)13/h7H,1-3H3
InChIKeyWUSPBOUSHHSNNN-UHFFFAOYSA-N
XLogP2.29
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.29
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-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile (CID 66277183) is 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile is Cc1nnc(OC(C)C(F)(F)F)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile?
The InChIKey is WUSPBOUSHHSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-5-6(2)15-16-9(8(5)4-14)17-7(3)10(11,12)13/h7H,1-3H3.
What are the key properties of 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile has a molecular weight of 245.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 66277183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).