3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C17H13ClN4S — CID 126472329

IUPAC3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C17H13ClN4S/c18-13-4-1-3-12(9-13)15-11-20-17-7-6-16(21-22(15)17)19-10-14-5-2-8-23-14/h1-9,11H,10H2,(H,19,21)
InChIKeyPSLVRNWJOCXPDZ-UHFFFAOYSA-N
MW340.84 g/mol
LogP4.72
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126472329) has the molecular formula C17H13ClN4S and a molecular weight of 340.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126472329
Molecular FormulaC17H13ClN4S
Molecular Weight340.84 g/mol
Exact Mass340.05
IUPAC Name3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C17H13ClN4S/c18-13-4-1-3-12(9-13)15-11-20-17-7-6-16(21-22(15)17)19-10-14-5-2-8-23-14/h1-9,11H,10H2,(H,19,21)
InChIKeyPSLVRNWJOCXPDZ-UHFFFAOYSA-N
XLogP4.72
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 126472329) is 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Clc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PSLVRNWJOCXPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4S/c18-13-4-1-3-12(9-13)15-11-20-17-7-6-16(21-22(15)17)19-10-14-5-2-8-23-14/h1-9,11H,10H2,(H,19,21).
What are the key properties of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 340.84 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126472329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).