5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine

C11H8F3N3 — CID 117127400

IUPAC5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
SMILESNc1cnncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-16-17-6-10(9)15/h1-6H,(H2,15,16)
InChIKeyNHPCQNMDGQCYHU-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.74
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine

5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine (PubChem CID 117127400) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
PubChem CID117127400
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
SMILESNc1cnncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-16-17-6-10(9)15/h1-6H,(H2,15,16)
InChIKeyNHPCQNMDGQCYHU-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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Related Compounds

5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine (CID 117127400) is 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine is Nc1cnncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The InChIKey is NHPCQNMDGQCYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-16-17-6-10(9)15/h1-6H,(H2,15,16).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
5-[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 5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine is sourced from PubChem (CID 117127400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).