N-phenyl-N-(trifluoromethyl)pyridazin-3-amine

C11H8F3N3 — CID 91037695

IUPACN-phenyl-N-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)N(c1ccccc1)c1cccnn1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)17(9-5-2-1-3-6-9)10-7-4-8-15-16-10/h1-8H
InChIKeySFIURAYIEKOFGG-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.13
Rot. Bonds2

About N-phenyl-N-(trifluoromethyl)pyridazin-3-amine

N-phenyl-N-(trifluoromethyl)pyridazin-3-amine (PubChem CID 91037695) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-phenyl-N-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(trifluoromethyl)pyridazin-3-amine
PubChem CID91037695
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC NameN-phenyl-N-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)N(c1ccccc1)c1cccnn1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)17(9-5-2-1-3-6-9)10-7-4-8-15-16-10/h1-8H
InChIKeySFIURAYIEKOFGG-UHFFFAOYSA-N
XLogP3.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-phenyl-N-(trifluoromethyl)pyridazin-3-amine (CID 91037695) is N-phenyl-N-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-phenyl-N-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-phenyl-N-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)N(c1ccccc1)c1cccnn1.
What is the InChIKey of N-phenyl-N-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is SFIURAYIEKOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)17(9-5-2-1-3-6-9)10-7-4-8-15-16-10/h1-8H.
What are the key properties of N-phenyl-N-(trifluoromethyl)pyridazin-3-amine?
N-phenyl-N-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 239.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 91037695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).