N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine

C13H18N4S — CID 116973440

IUPACN,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
SMILESCNCCCN(C)c1ccc(-c2cccs2)nn1
InChIInChI=1S/C13H18N4S/c1-14-8-4-9-17(2)13-7-6-11(15-16-13)12-5-3-10-18-12/h3,5-7,10,14H,4,8-9H2,1-2H3
InChIKeyWWGJKQOTRXHKLO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.25
Rot. Bonds6

About N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine

N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 116973440) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
PubChem CID116973440
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
SMILESCNCCCN(C)c1ccc(-c2cccs2)nn1
InChIInChI=1S/C13H18N4S/c1-14-8-4-9-17(2)13-7-6-11(15-16-13)12-5-3-10-18-12/h3,5-7,10,14H,4,8-9H2,1-2H3
InChIKeyWWGJKQOTRXHKLO-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973443
N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 69151207
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973452
N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine
CID 116973478
N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 116822351
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
1-N-(6-thiophen-2-ylpyridazin-3-yl)butane-1,3-diamine
CID 116970824
3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973681
2-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970506

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine (CID 116973440) is N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine is CNCCCN(C)c1ccc(-c2cccs2)nn1.
What is the InChIKey of N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is WWGJKQOTRXHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-14-8-4-9-17(2)13-7-6-11(15-16-13)12-5-3-10-18-12/h3,5-7,10,14H,4,8-9H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine?
N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 116973440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).