3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine

C16H19FN2 — CID 123788430

IUPAC3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine
SMILESC=C1C(C(C)C)=CC(c2ccc(F)c(C)c2)=NN1C
InChIInChI=1S/C16H19FN2/c1-10(2)14-9-16(18-19(5)12(14)4)13-6-7-15(17)11(3)8-13/h6-10H,4H2,1-3,5H3
InChIKeyHFAMUFBNBCNRSC-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.88
Rot. Bonds2

About 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine

3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine (PubChem CID 123788430) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine
PubChem CID123788430
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine
SMILESC=C1C(C(C)C)=CC(c2ccc(F)c(C)c2)=NN1C
InChIInChI=1S/C16H19FN2/c1-10(2)14-9-16(18-19(5)12(14)4)13-6-7-15(17)11(3)8-13/h6-10H,4H2,1-3,5H3
InChIKeyHFAMUFBNBCNRSC-UHFFFAOYSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
CID 87918226
6-[4-(2-fluoro-3-methylphenyl)-2,7,7-trimethylocta-3,5-dien-3-yl]-3-methylidene-2-pentyl-4H-pyridine
CID 123203376
6-(2-fluorophenyl)-2-methyl-3H-pyridazine
CID 123457546
1-[(1E,3Z)-1-(2-ethenyl-5-fluorophenyl)-2-methylpenta-1,3-dien-3-yl]-3-methyl-6-methylidenepyridazine
CID 126713783
1-[(3,4-difluorophenyl)methyl]-3-(4,5-dimethylhex-5-enyl)-4-methyl-5-methylidene-4H-pyrazole
CID 132138589
N-[(Z)-(3-cyclohexyl-3-methylpent-4-en-2-ylidene)amino]-2-(4-fluorophenyl)-N-methylbuta-2,3-dien-1-amine
CID 137398398
(E,3E)-N-[4-[3-(1,1-difluoroethyl)phenyl]-6-methyl-2H-pyridin-1-yl]-3,6-dimethylhepta-3,5-dien-2-imine;ethane;ethene;propane
CID 142047644
ethane;1-methyl-4-phenyl-6-[(2E,4E)-4-(trifluoromethyl)hexa-2,4-dien-3-yl]-2H-triazine
CID 142128290
3-(4-fluoro-3-methylphenyl)-N-[1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]ethenyl]propan-1-amine
CID 142897534
(1E,6Z)-N-[(Z)-[(2E)-2-(aminomethylidene)-1-(4-fluorophenyl)but-3-enylidene]amino]-N,7-dimethylcycloocta-1,4,6-trien-1-amine
CID 142904036
(3Z)-5-[1-(4-fluorophenyl)ethylideneamino]-N,6-dimethyl-N-(3-methylpentyl)hepta-1,3,5-trien-2-amine
CID 156445464
2-Cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole
CID 172578677

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine (CID 123788430) is 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine is C=C1C(C(C)C)=CC(c2ccc(F)c(C)c2)=NN1C.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine?
The InChIKey is HFAMUFBNBCNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-10(2)14-9-16(18-19(5)12(14)4)13-6-7-15(17)11(3)8-13/h6-10H,4H2,1-3,5H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine?
3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine has a molecular weight of 258.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-1-methyl-6-methylidene-5-propan-2-ylpyridazine is sourced from PubChem (CID 123788430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).