2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine

C14H17FN4 — CID 116973366

IUPAC2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(-c2cccc(F)c2)nn1
InChIInChI=1S/C14H17FN4/c1-10(9-16)19(2)14-7-6-13(17-18-14)11-4-3-5-12(15)8-11/h3-8,10H,9,16H2,1-2H3
InChIKeyZPKQWIYKXFCUMV-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.07
Rot. Bonds4

About 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine

2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine (PubChem CID 116973366) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine
PubChem CID116973366
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(-c2cccc(F)c2)nn1
InChIInChI=1S/C14H17FN4/c1-10(9-16)19(2)14-7-6-13(17-18-14)11-4-3-5-12(15)8-11/h3-8,10H,9,16H2,1-2H3
InChIKeyZPKQWIYKXFCUMV-UHFFFAOYSA-N
XLogP2.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-6-(3-fluorophenyl)pyridazine
CID 176989487
6-[3-[(1R)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyridazin-3-amine
CID 97437078
N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973263
2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116973376
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 116971455
2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 114872284
1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine
CID 116973321
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
1-(3-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934242
3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139324046

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine (CID 116973366) is 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1ccc(-c2cccc(F)c2)nn1.
What is the InChIKey of 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine?
The InChIKey is ZPKQWIYKXFCUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10(9-16)19(2)14-7-6-13(17-18-14)11-4-3-5-12(15)8-11/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine?
2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116973366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).