6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine

C11H9F3N4 — CID 117106943

IUPAC6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nnc1N
InChIInChI=1S/C11H9F3N4/c12-11(13,14)7-3-1-2-6(4-7)9-5-8(15)10(16)18-17-9/h1-5H,(H2,15,17)(H2,16,18)
InChIKeyQAVYWZFHYNEPET-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.33
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine

6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine (PubChem CID 117106943) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine
PubChem CID117106943
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nnc1N
InChIInChI=1S/C11H9F3N4/c12-11(13,14)7-3-1-2-6(4-7)9-5-8(15)10(16)18-17-9/h1-5H,(H2,15,17)(H2,16,18)
InChIKeyQAVYWZFHYNEPET-UHFFFAOYSA-N
XLogP2.33
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydrazinyl-6-phenylpyridazine
CID 6409842
6-Phenylpyridazin-3-amine
CID 11958915
5-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 614845
3-Pyridazinamine, 4-methyl-6-phenyl-, monohydrochloride
CID 6410668
5-Methyl-6-phenylpyridazin-3-amine
CID 13735348
3-Amino-4-methyl-6-phenylpyridazine
CID 603946
3-Hydrazinyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12726855
6-(2-Fluorophenyl)pyridazin-3-amine
CID 45787833
3-Amino-6-(4-fluorophenyl)pyridazine
CID 11030588
3-Amino-6-(3-trifluoromethylphenyl)pyridazine
CID 13565367
Amino-6-methyl-4-(3-trifluoromethylphenyl)pyridazine
CID 19889056
6-Phenylpyridazine-3,5-diamine
CID 6414466

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine (CID 117106943) is 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine is Nc1cc(-c2cccc(C(F)(F)F)c2)nnc1N.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine?
The InChIKey is QAVYWZFHYNEPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-11(13,14)7-3-1-2-6(4-7)9-5-8(15)10(16)18-17-9/h1-5H,(H2,15,17)(H2,16,18).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine?
6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine has a molecular weight of 254.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]pyridazine-3,4-diamine is sourced from PubChem (CID 117106943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).