6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile

C11H9F3N6 — CID 133421869

IUPAC6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile
SMILESCn1cc(CNc2ccc(C#N)nn2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N6/c1-20-6-7(10(19-20)11(12,13)14)5-16-9-3-2-8(4-15)17-18-9/h2-3,6H,5H2,1H3,(H,16,18)
InChIKeyTYMVXOCDTGBYIX-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.71
Rot. Bonds3

About 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile

6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile (PubChem CID 133421869) has the molecular formula C11H9F3N6 and a molecular weight of 282.23 g/mol. Its IUPAC name is 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile
PubChem CID133421869
Molecular FormulaC11H9F3N6
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC Name6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile
SMILESCn1cc(CNc2ccc(C#N)nn2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N6/c1-20-6-7(10(19-20)11(12,13)14)5-16-9-3-2-8(4-15)17-18-9/h2-3,6H,5H2,1H3,(H,16,18)
InChIKeyTYMVXOCDTGBYIX-UHFFFAOYSA-N
XLogP1.71
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile (CID 133421869) is 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile is Cn1cc(CNc2ccc(C#N)nn2)c(C(F)(F)F)n1.
What is the InChIKey of 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile?
The InChIKey is TYMVXOCDTGBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6/c1-20-6-7(10(19-20)11(12,13)14)5-16-9-3-2-8(4-15)17-18-9/h2-3,6H,5H2,1H3,(H,16,18).
What are the key properties of 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile?
6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile has a molecular weight of 282.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133421869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).