4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine

C12H12F3N3O — CID 64692599

IUPAC4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2ccccc2OC(F)(F)F)=NN=C1N
InChIInChI=1S/C12H12F3N3O/c1-7-6-9(17-18-11(7)16)8-4-2-3-5-10(8)19-12(13,14)15/h2-5,7H,6H2,1H3,(H2,16,18)
InChIKeyVZNVUBFGZKGNCL-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.69
Rot. Bonds2

About 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine

4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine (PubChem CID 64692599) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine
PubChem CID64692599
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2ccccc2OC(F)(F)F)=NN=C1N
InChIInChI=1S/C12H12F3N3O/c1-7-6-9(17-18-11(7)16)8-4-2-3-5-10(8)19-12(13,14)15/h2-5,7H,6H2,1H3,(H2,16,18)
InChIKeyVZNVUBFGZKGNCL-UHFFFAOYSA-N
XLogP2.69
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
The IUPAC name of 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine (CID 64692599) is 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine is CC1CC(c2ccccc2OC(F)(F)F)=NN=C1N.
What is the InChIKey of 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
The InChIKey is VZNVUBFGZKGNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7-6-9(17-18-11(7)16)8-4-2-3-5-10(8)19-12(13,14)15/h2-5,7H,6H2,1H3,(H2,16,18).
What are the key properties of 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine has a molecular weight of 271.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64692599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).