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

C12H10F3N3 — CID 19889056

IUPAC6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(N)nn1
InChIInChI=1S/C12H10F3N3/c1-7-5-10(11(16)18-17-7)8-3-2-4-9(6-8)12(13,14)15/h2-6H,1H3,(H2,16,18)
InChIKeyJNPVTVMLGFGZRE-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.05
Rot. Bonds1

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

6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 19889056) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID19889056
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(N)nn1
InChIInChI=1S/C12H10F3N3/c1-7-5-10(11(16)18-17-7)8-3-2-4-9(6-8)12(13,14)15/h2-6H,1H3,(H2,16,18)
InChIKeyJNPVTVMLGFGZRE-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 19889056) is 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(N)nn1.
What is the InChIKey of 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is JNPVTVMLGFGZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-7-5-10(11(16)18-17-7)8-3-2-4-9(6-8)12(13,14)15/h2-6H,1H3,(H2,16,18).
What are the key properties of 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 253.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 19889056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).