N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

C14H14N4S — CID 6419790

IUPACN-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(-c2cnc3ccc(NCC4CC4)nn23)c1
InChIInChI=1S/C14H14N4S/c1-2-12(19-7-1)11-9-16-14-6-5-13(17-18(11)14)15-8-10-3-4-10/h1-2,5-7,9-10H,3-4,8H2,(H,15,17)
InChIKeyMNKKMNSSSZDJOR-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.28
Rot. Bonds4

About N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 6419790) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID6419790
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(-c2cnc3ccc(NCC4CC4)nn23)c1
InChIInChI=1S/C14H14N4S/c1-2-12(19-7-1)11-9-16-14-6-5-13(17-18(11)14)15-8-10-3-4-10/h1-2,5-7,9-10H,3-4,8H2,(H,15,17)
InChIKeyMNKKMNSSSZDJOR-UHFFFAOYSA-N
XLogP3.28
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
N-cyclohexyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808862
3-bromo-N-(pyridin-3-ylmethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10475216
1-(4-fluoro-benzyl)-6-thiophen-2-yl-1H-[1,2,3]triazolo[4,5-b]pyrazine
CID 11738454
3-(4-Fluoro-benzyl)-6-th iophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 11771327
3-((Pyridin-2-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194810
5-(Piperidin-3-yl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224363
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
7-(Cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70692773

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 6419790) is N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is c1csc(-c2cnc3ccc(NCC4CC4)nn23)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MNKKMNSSSZDJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-12(19-7-1)11-9-16-14-6-5-13(17-18(11)14)15-8-10-3-4-10/h1-2,5-7,9-10H,3-4,8H2,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 270.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 6419790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).