[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine

C14H14F3N3O — CID 61096219

IUPAC[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
SMILESCc1nnc(Oc2cccc(C(F)(F)F)c2)c(CN)c1C
InChIInChI=1S/C14H14F3N3O/c1-8-9(2)19-20-13(12(8)7-18)21-11-5-3-4-10(6-11)14(15,16)17/h3-6H,7,18H2,1-2H3
InChIKeyXNFLBLZHGABRJK-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.36
Rot. Bonds3

About [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine

[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine (PubChem CID 61096219) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
PubChem CID61096219
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
SMILESCc1nnc(Oc2cccc(C(F)(F)F)c2)c(CN)c1C
InChIInChI=1S/C14H14F3N3O/c1-8-9(2)19-20-13(12(8)7-18)21-11-5-3-4-10(6-11)14(15,16)17/h3-6H,7,18H2,1-2H3
InChIKeyXNFLBLZHGABRJK-UHFFFAOYSA-N
XLogP3.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
CID 61097627
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 61255509
[3-(2-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
1-benzyl-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6404481
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine (CID 61096219) is [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine is Cc1nnc(Oc2cccc(C(F)(F)F)c2)c(CN)c1C.
What is the InChIKey of [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine?
The InChIKey is XNFLBLZHGABRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-9(2)19-20-13(12(8)7-18)21-11-5-3-4-10(6-11)14(15,16)17/h3-6H,7,18H2,1-2H3.
What are the key properties of [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine has a molecular weight of 297.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine is sourced from PubChem (CID 61096219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).