N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine

C12H12F2N4 — CID 116970403

IUPACN'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H12F2N4/c13-9-2-1-8(7-10(9)14)11-3-4-12(18-17-11)16-6-5-15/h1-4,7H,5-6,15H2,(H,16,18)
InChIKeyOBNDICFBKCPZHL-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.79
Rot. Bonds4

About N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine

N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 116970403) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
PubChem CID116970403
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H12F2N4/c13-9-2-1-8(7-10(9)14)11-3-4-12(18-17-11)16-6-5-15/h1-4,7H,5-6,15H2,(H,16,18)
InChIKeyOBNDICFBKCPZHL-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970422
3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971924
3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine
CID 69106663
2-[[6-(4-chlorophenyl)pyridazin-3-yl]amino]ethanol
CID 116971236
N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970430
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
N'-[6-(5-methylfuran-2-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970435

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine (CID 116970403) is N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine is NCCNc1ccc(-c2ccc(F)c(F)c2)nn1.
What is the InChIKey of N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is OBNDICFBKCPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-9-2-1-8(7-10(9)14)11-3-4-12(18-17-11)16-6-5-15/h1-4,7H,5-6,15H2,(H,16,18).
What are the key properties of N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine?
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 250.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 116970403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).