2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine

C11H11FN4 — CID 106894891

IUPAC2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2cccnn2)c(F)c1
InChIInChI=1S/C11H11FN4/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-16-9/h1-6,14H,7,13H2
InChIKeyALDDXOYCIQJCGR-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.81
Rot. Bonds3

About 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine

2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine (PubChem CID 106894891) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
PubChem CID106894891
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2cccnn2)c(F)c1
InChIInChI=1S/C11H11FN4/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-16-9/h1-6,14H,7,13H2
InChIKeyALDDXOYCIQJCGR-UHFFFAOYSA-N
XLogP1.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106894888
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
2-bromo-N-(pyridazin-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 106896638
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789
2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
CID 106894773
2-fluoro-4-nitro-5-(pyridazin-3-ylmethylamino)benzoic acid
CID 106896425
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894675
2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
CID 106894766
2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106832701
2-methyl-4-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894769
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine (CID 106894891) is 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine is Nc1ccc(NCc2cccnn2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is ALDDXOYCIQJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-16-9/h1-6,14H,7,13H2.
What are the key properties of 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine?
2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 218.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 106894891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).