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

C11H8F3N3 — CID 19959675

IUPAC6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
SMILESNc1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)10-5-9(15)6-16-17-10/h1-6H,(H2,15,17)
InChIKeyNEOFJXUVWYIVQN-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.74
Rot. Bonds1

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

6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine (PubChem CID 19959675) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
PubChem CID19959675
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
SMILESNc1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)10-5-9(15)6-16-17-10/h1-6H,(H2,15,17)
InChIKeyNEOFJXUVWYIVQN-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-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine (CID 19959675) is 6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine is Nc1cnnc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The InChIKey is NEOFJXUVWYIVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)10-5-9(15)6-16-17-10/h1-6H,(H2,15,17).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
6-[3-(trifluoromethyl)phenyl]pyridazin-4-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-[3-(trifluoromethyl)phenyl]pyridazin-4-amine is sourced from PubChem (CID 19959675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).