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

C12H11F3N4 — CID 117106492

IUPAC6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)nnc1N
InChIInChI=1S/C12H11F3N4/c13-12(14,15)8-3-1-2-7(4-8)5-9-6-10(16)11(17)19-18-9/h1-4,6H,5H2,(H2,16,18)(H2,17,19)
InChIKeyJWHFVTXGEJURHT-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.25
Rot. Bonds2

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

6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine (PubChem CID 117106492) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine
PubChem CID117106492
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)nnc1N
InChIInChI=1S/C12H11F3N4/c13-12(14,15)8-3-1-2-7(4-8)5-9-6-10(16)11(17)19-18-9/h1-4,6H,5H2,(H2,16,18)(H2,17,19)
InChIKeyJWHFVTXGEJURHT-UHFFFAOYSA-N
XLogP2.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.25
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]methyl]pyridazine-3,4-diamine?
The IUPAC name of 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine (CID 117106492) is 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine.
What is the SMILES notation for 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine?
The canonical SMILES for 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine is Nc1cc(Cc2cccc(C(F)(F)F)c2)nnc1N.
What is the InChIKey of 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine?
The InChIKey is JWHFVTXGEJURHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)8-3-1-2-7(4-8)5-9-6-10(16)11(17)19-18-9/h1-4,6H,5H2,(H2,16,18)(H2,17,19).
What are the key properties of 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine?
6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine has a molecular weight of 268.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-3,4-diamine is sourced from PubChem (CID 117106492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).