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

C19H16F3N3 — CID 25022974

IUPAC6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2C)nn1
InChIInChI=1S/C19H16F3N3/c1-12-6-3-4-9-17(12)23-18-16(10-13(2)24-25-18)14-7-5-8-15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,25)
InChIKeyMUGWJVJGGCVWCO-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.52
Rot. Bonds3

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

6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25022974) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25022974
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2C)nn1
InChIInChI=1S/C19H16F3N3/c1-12-6-3-4-9-17(12)23-18-16(10-13(2)24-25-18)14-7-5-8-15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,25)
InChIKeyMUGWJVJGGCVWCO-UHFFFAOYSA-N
XLogP5.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25022974) is 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2C)nn1.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is MUGWJVJGGCVWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-12-6-3-4-9-17(12)23-18-16(10-13(2)24-25-18)14-7-5-8-15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,25).
What are the key properties of 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 343.35 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25022974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).