6-phenyl-4-(trifluoromethyl)pyridazin-3-amine

C11H8F3N3 — CID 68727202

IUPAC6-phenyl-4-(trifluoromethyl)pyridazin-3-amine
SMILESNc1nnc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-6-9(16-17-10(8)15)7-4-2-1-3-5-7/h1-6H,(H2,15,17)
InChIKeyBADNZACBVKOQLI-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.74
Rot. Bonds1

About 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine

6-phenyl-4-(trifluoromethyl)pyridazin-3-amine (PubChem CID 68727202) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-phenyl-4-(trifluoromethyl)pyridazin-3-amine
PubChem CID68727202
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name6-phenyl-4-(trifluoromethyl)pyridazin-3-amine
SMILESNc1nnc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-6-9(16-17-10(8)15)7-4-2-1-3-5-7/h1-6H,(H2,15,17)
InChIKeyBADNZACBVKOQLI-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine (CID 68727202) is 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine is Nc1nnc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is BADNZACBVKOQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)8-6-9(16-17-10(8)15)7-4-2-1-3-5-7/h1-6H,(H2,15,17).
What are the key properties of 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine?
6-phenyl-4-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 239.20 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 68727202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).