1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine

C15H20N4 — CID 116970835

IUPAC1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
SMILESCc1ccccc1-c1ccc(NCCC(C)N)nn1
InChIInChI=1S/C15H20N4/c1-11-5-3-4-6-13(11)14-7-8-15(19-18-14)17-10-9-12(2)16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyWQGZALSVOQJPQX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.60
Rot. Bonds5

About 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine

1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine (PubChem CID 116970835) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
PubChem CID116970835
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
SMILESCc1ccccc1-c1ccc(NCCC(C)N)nn1
InChIInChI=1S/C15H20N4/c1-11-5-3-4-6-13(11)14-7-8-15(19-18-14)17-10-9-12(2)16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyWQGZALSVOQJPQX-UHFFFAOYSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(6-thiophen-2-ylpyridazin-3-yl)butane-1,3-diamine
CID 116970824
1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine
CID 116970844
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044513
2-[[6-(2,4-dimethylphenyl)pyridazin-3-yl]amino]ethanethiol
CID 116971594
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
3-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971919
6-(2-nitrophenyl)-N-propylpyridazin-3-amine
CID 62203904
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
The IUPAC name of 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine (CID 116970835) is 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine.
What is the SMILES notation for 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
The canonical SMILES for 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine is Cc1ccccc1-c1ccc(NCCC(C)N)nn1.
What is the InChIKey of 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
The InChIKey is WQGZALSVOQJPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-5-3-4-6-13(11)14-7-8-15(19-18-14)17-10-9-12(2)16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine is sourced from PubChem (CID 116970835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).