3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine

C12H9ClF3N3 — CID 117106637

IUPAC3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine
SMILESNc1cc(Cc2ccccc2C(F)(F)F)nnc1Cl
InChIInChI=1S/C12H9ClF3N3/c13-11-10(17)6-8(18-19-11)5-7-3-1-2-4-9(7)12(14,15)16/h1-4,6H,5H2,(H2,17,18)
InChIKeyCNURCTFIJZLRQK-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.32
Rot. Bonds2

About 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine

3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine (PubChem CID 117106637) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine
PubChem CID117106637
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine
SMILESNc1cc(Cc2ccccc2C(F)(F)F)nnc1Cl
InChIInChI=1S/C12H9ClF3N3/c13-11-10(17)6-8(18-19-11)5-7-3-1-2-4-9(7)12(14,15)16/h1-4,6H,5H2,(H2,17,18)
InChIKeyCNURCTFIJZLRQK-UHFFFAOYSA-N
XLogP3.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-(2-methylbenzyl)pyridazine
CID 6404653
3-Benzyl-6-chloropyridazine
CID 6404535
3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12449552
3-Chloro-6-(2-fluorobenzyl)pyridazine
CID 6404571
6-Chloro-3-methyl-4-phenylpyridazine
CID 13735309
5-Chloro-3,4-diazatricyclo(9.4.0.0,2,7)pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 14126159
3-Chloro-6-(3-fluorophenyl)-4-methylpyridazine
CID 54595715
3-Chloro-4-methyl-6-phenylpyridazine
CID 119999
3-Chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 91578216
3-Chloro-6-phenyl-4-(trifluoromethyl)pyridazine
CID 10587337
Pyridazine, 3-chloro-6-[4-(trifluoromethyl)phenyl]-
CID 12449554
3-Chloro-6-(2,6-difluorophenyl)pyridazine
CID 43583893

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine?
The IUPAC name of 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine (CID 117106637) is 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine is Nc1cc(Cc2ccccc2C(F)(F)F)nnc1Cl.
What is the InChIKey of 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine?
The InChIKey is CNURCTFIJZLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-11-10(17)6-8(18-19-11)5-7-3-1-2-4-9(7)12(14,15)16/h1-4,6H,5H2,(H2,17,18).
What are the key properties of 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine?
3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine has a molecular weight of 287.67 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazin-4-amine is sourced from PubChem (CID 117106637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).