5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine

C19H27N5S — CID 90971362

IUPAC5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine
SMILESCCC(CC)C(CCCN)Nc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C19H27N5S/c1-3-14(4-2)16(6-5-10-20)22-18-7-8-19-21-12-17(24(19)23-18)15-9-11-25-13-15/h7-9,11-14,16H,3-6,10,20H2,1-2H3,(H,22,23)
InChIKeyCRBWKTMWRPATFB-UHFFFAOYSA-N
MW357.53 g/mol
LogP4.41
Rot. Bonds9

About 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine

5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine (PubChem CID 90971362) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine
PubChem CID90971362
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine
SMILESCCC(CC)C(CCCN)Nc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C19H27N5S/c1-3-14(4-2)16(6-5-10-20)22-18-7-8-19-21-12-17(24(19)23-18)15-9-11-25-13-15/h7-9,11-14,16H,3-6,10,20H2,1-2H3,(H,22,23)
InChIKeyCRBWKTMWRPATFB-UHFFFAOYSA-N
XLogP4.41
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine?
The IUPAC name of 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine (CID 90971362) is 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine?
The canonical SMILES for 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine is CCC(CC)C(CCCN)Nc1ccc2ncc(-c3ccsc3)n2n1.
What is the InChIKey of 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine?
The InChIKey is CRBWKTMWRPATFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-3-14(4-2)16(6-5-10-20)22-18-7-8-19-21-12-17(24(19)23-18)15-9-11-25-13-15/h7-9,11-14,16H,3-6,10,20H2,1-2H3,(H,22,23).
What are the key properties of 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine?
5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine has a molecular weight of 357.53 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)heptane-1,4-diamine is sourced from PubChem (CID 90971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).