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

C19H13F6N3O — CID 25023037

IUPAC6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C19H13F6N3O/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(28-27-11)26-14-5-7-15(8-6-14)29-19(23,24)25/h2-10H,1H3,(H,26,28)
InChIKeyVVMFCGQISNMNMC-UHFFFAOYSA-N
MW413.32 g/mol
LogP6.11
Rot. Bonds4

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

6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25023037) has the molecular formula C19H13F6N3O and a molecular weight of 413.32 g/mol. Its IUPAC name is 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25023037
Molecular FormulaC19H13F6N3O
Molecular Weight413.32 g/mol
Exact Mass413.10
IUPAC Name6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C19H13F6N3O/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(28-27-11)26-14-5-7-15(8-6-14)29-19(23,24)25/h2-10H,1H3,(H,26,28)
InChIKeyVVMFCGQISNMNMC-UHFFFAOYSA-N
XLogP6.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25023037) is 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(OC(F)(F)F)cc2)nn1.
What is the InChIKey of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is VVMFCGQISNMNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(28-27-11)26-14-5-7-15(8-6-14)29-19(23,24)25/h2-10H,1H3,(H,26,28).
What are the key properties of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 413.32 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25023037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).