N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine

C14H17N5S — CID 24997038

IUPACN',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C14H17N5S/c1-18(2)7-6-15-13-3-4-14-16-9-12(19(14)17-13)11-5-8-20-10-11/h3-5,8-10H,6-7H2,1-2H3,(H,15,17)
InChIKeyZJGPNMODLAEECK-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.43
Rot. Bonds5

About N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine (PubChem CID 24997038) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine
PubChem CID24997038
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C14H17N5S/c1-18(2)7-6-15-13-3-4-14-16-9-12(19(14)17-13)11-5-8-20-10-11/h3-5,8-10H,6-7H2,1-2H3,(H,15,17)
InChIKeyZJGPNMODLAEECK-UHFFFAOYSA-N
XLogP2.43
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine (CID 24997038) is N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine is CN(C)CCNc1ccc2ncc(-c3ccsc3)n2n1.
What is the InChIKey of N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine?
The InChIKey is ZJGPNMODLAEECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-18(2)7-6-15-13-3-4-14-16-9-12(19(14)17-13)11-5-8-20-10-11/h3-5,8-10H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine has a molecular weight of 287.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 24997038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).