3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine

C14H17BrN4 — CID 116970760

IUPAC3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
SMILESCC(CCN)Nc1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C14H17BrN4/c1-10(8-9-16)17-14-7-6-13(18-19-14)11-2-4-12(15)5-3-11/h2-7,10H,8-9,16H2,1H3,(H,17,19)
InChIKeyAHBHNDLGBWAMCZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.06
Rot. Bonds5

About 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine

3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine (PubChem CID 116970760) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
PubChem CID116970760
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
SMILESCC(CCN)Nc1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C14H17BrN4/c1-10(8-9-16)17-14-7-6-13(18-19-14)11-2-4-12(15)5-3-11/h2-7,10H,8-9,16H2,1H3,(H,17,19)
InChIKeyAHBHNDLGBWAMCZ-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970758
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine
CID 116970755
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970540
N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine
CID 29135751
2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970792
3-(4-bromophenyl)-6-propan-2-ylpyridazine
CID 118454795
3-N-pyrimidin-4-ylbutane-1,3-diamine
CID 83178912
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222

Frequently Asked Questions

What is the IUPAC name of 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine?
The IUPAC name of 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine (CID 116970760) is 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine.
What is the SMILES notation for 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine?
The canonical SMILES for 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine is CC(CCN)Nc1ccc(-c2ccc(Br)cc2)nn1.
What is the InChIKey of 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine?
The InChIKey is AHBHNDLGBWAMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-10(8-9-16)17-14-7-6-13(18-19-14)11-2-4-12(15)5-3-11/h2-7,10H,8-9,16H2,1H3,(H,17,19).
What are the key properties of 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine?
3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine is sourced from PubChem (CID 116970760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).