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

C11H8F3N5 — CID 137377816

IUPAC5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile
SMILESCc1cc(C#N)nnc1-c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N5/c1-6-3-7(4-15)16-17-9(6)8-5-19(2)18-10(8)11(12,13)14/h3,5H,1-2H3
InChIKeyATIOZVJPADAYBF-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.08
Rot. Bonds1

About 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile

5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile (PubChem CID 137377816) has the molecular formula C11H8F3N5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile
PubChem CID137377816
Molecular FormulaC11H8F3N5
Molecular Weight267.21 g/mol
Exact Mass267.07
IUPAC Name5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile
SMILESCc1cc(C#N)nnc1-c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N5/c1-6-3-7(4-15)16-17-9(6)8-5-19(2)18-10(8)11(12,13)14/h3,5H,1-2H3
InChIKeyATIOZVJPADAYBF-UHFFFAOYSA-N
XLogP2.08
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile?
The IUPAC name of 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile (CID 137377816) is 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile is Cc1cc(C#N)nnc1-c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile?
The InChIKey is ATIOZVJPADAYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5/c1-6-3-7(4-15)16-17-9(6)8-5-19(2)18-10(8)11(12,13)14/h3,5H,1-2H3.
What are the key properties of 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile?
5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile has a molecular weight of 267.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 137377816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).