(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine

C20H22F3N3 — CID 166548541

IUPAC(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
SMILESC=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2C)nnc(C)/c1=C/C
InChIInChI=1S/C20H22F3N3/c1-6-16-14(5)25-26-19(17(16)10-12(2)3)24-11-15-8-7-9-18(13(15)4)20(21,22)23/h6-10H,2,11H2,1,3-5H3,(H,24,26)/b16-6-,17-10+
InChIKeyYJHMGRSLXFKWAP-REBPFAHISA-N
MW361.41 g/mol
LogP3.88
Rot. Bonds4

About (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine

(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine (PubChem CID 166548541) has the molecular formula C20H22F3N3 and a molecular weight of 361.41 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
PubChem CID166548541
Molecular FormulaC20H22F3N3
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
SMILESC=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2C)nnc(C)/c1=C/C
InChIInChI=1S/C20H22F3N3/c1-6-16-14(5)25-26-19(17(16)10-12(2)3)24-11-15-8-7-9-18(13(15)4)20(21,22)23/h6-10H,2,11H2,1,3-5H3,(H,24,26)/b16-6-,17-10+
InChIKeyYJHMGRSLXFKWAP-REBPFAHISA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine;3-ethyl-1-methyl-3-(2-methylbutyl)azetidine
CID 166548573
(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-[2-(methylamino)prop-2-enylidene]pyridazin-3-amine;oxolane
CID 166548633
5-ethyl-5,8-dimethyldecan-3-amine;(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(2-methylprop-2-enylidene)pyridazin-3-amine
CID 166548711
(4E,5E)-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methyl-4-[(Z)-2-(methylamino)pent-2-enylidene]pyridazin-3-amine;octane
CID 166548455
(4E,5E)-4-[2-(2,6-diazabicyclo[3.2.0]heptan-2-yl)prop-2-enylidene]-5-ethylidene-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-methylpyridazin-3-amine;ethane
CID 166548875
3-[[[(4E,5E)-5-ethylidene-4-[(Z)-2-(4-formylpiperazin-1-yl)pent-2-enylidene]-6-methylpyridazin-3-yl]amino]methyl]-2-methylbenzonitrile
CID 166548549
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
6,7-dimethoxy-4-methyl-N-[2-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 156504197
(4E,5E)-N-[[6-amino-3-methyl-2-(trifluoromethyl)-4-pyridinyl]methyl]-5-ethylidene-6-methyl-4-[(Z)-2-morpholin-4-ylpent-2-enylidene]pyridazin-3-amine
CID 166548770
3-[[[(4E,5E)-4-(2-chloroprop-2-enylidene)-6-[(dimethylamino)methyl]-5-ethylidenepyridazin-3-yl]amino]methyl]-2-methylbenzonitrile
CID 166548851
3-[[[(4E,5E)-4-[(Z)-2-(2,4-dimethylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-6-methylpyridazin-3-yl]amino]methyl]-2-methylbenzonitrile
CID 166548718
7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 167166217

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The IUPAC name of (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine (CID 166548541) is (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine.
What is the SMILES notation for (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The canonical SMILES for (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine is C=C(C)/C=c1/c(NCc2cccc(C(F)(F)F)c2C)nnc(C)/c1=C/C.
What is the InChIKey of (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The InChIKey is YJHMGRSLXFKWAP-REBPFAHISA-N. The full InChI is InChI=1S/C20H22F3N3/c1-6-16-14(5)25-26-19(17(16)10-12(2)3)24-11-15-8-7-9-18(13(15)4)20(21,22)23/h6-10H,2,11H2,1,3-5H3,(H,24,26)/b16-6-,17-10+.
What are the key properties of (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine has a molecular weight of 361.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 166548541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).