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

C17H14N4S — CID 6419824

IUPAC3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1
InChIInChI=1S/C17H14N4S/c1-2-5-13(6-3-1)15-12-19-17-9-8-16(20-21(15)17)18-11-14-7-4-10-22-14/h1-10,12H,11H2,(H,18,20)
InChIKeyILAPRGCVPHNVMQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.07
Rot. Bonds4

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

3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 6419824) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID6419824
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1
InChIInChI=1S/C17H14N4S/c1-2-5-13(6-3-1)15-12-19-17-9-8-16(20-21(15)17)18-11-14-7-4-10-22-14/h1-10,12H,11H2,(H,18,20)
InChIKeyILAPRGCVPHNVMQ-UHFFFAOYSA-N
XLogP4.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 6419824) is 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is c1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1.
What is the InChIKey of 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ILAPRGCVPHNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-5-13(6-3-1)15-12-19-17-9-8-16(20-21(15)17)18-11-14-7-4-10-22-14/h1-10,12H,11H2,(H,18,20).
What are the key properties of 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 306.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 6419824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).