5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile

C14H11F3N4 — CID 61096636

IUPAC5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccc(C(F)(F)F)cc2)c(C#N)c1C
InChIInChI=1S/C14H11F3N4/c1-8-9(2)20-21-13(12(8)7-18)19-11-5-3-10(4-6-11)14(15,16)17/h3-6H,1-2H3,(H,19,21)
InChIKeyYKIGESXLVYOOIE-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.73
Rot. Bonds2

About 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile (PubChem CID 61096636) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
PubChem CID61096636
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccc(C(F)(F)F)cc2)c(C#N)c1C
InChIInChI=1S/C14H11F3N4/c1-8-9(2)20-21-13(12(8)7-18)19-11-5-3-10(4-6-11)14(15,16)17/h3-6H,1-2H3,(H,19,21)
InChIKeyYKIGESXLVYOOIE-UHFFFAOYSA-N
XLogP3.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
5,6-dimethyl-3-[3-(3,3,3-trifluoropropyl)anilino]pyridazine-4-carbonitrile
CID 133347707
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
3-(4-bromo-3,5-dimethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 107574599
3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097029
5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
CID 107585528
2,4,5-trichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 21234722
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
2-bromo-5-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]benzoic acid
CID 115296144
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
CID 107644815
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile (CID 61096636) is 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile is Cc1nnc(Nc2ccc(C(F)(F)F)cc2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
The InChIKey is YKIGESXLVYOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-8-9(2)20-21-13(12(8)7-18)19-11-5-3-10(4-6-11)14(15,16)17/h3-6H,1-2H3,(H,19,21).
What are the key properties of 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile is sourced from PubChem (CID 61096636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).