6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C14H17N5S — CID 176500079

IUPAC6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NC(C)Cc2ccsc2)c2nncn2n1
InChIInChI=1S/C14H17N5S/c1-3-12-7-13(14-17-15-9-19(14)18-12)16-10(2)6-11-4-5-20-8-11/h4-5,7-10,16H,3,6H2,1-2H3
InChIKeyCVMOWFFHWPVJDK-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.79
Rot. Bonds5

About 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176500079) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176500079
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NC(C)Cc2ccsc2)c2nncn2n1
InChIInChI=1S/C14H17N5S/c1-3-12-7-13(14-17-15-9-19(14)18-12)16-10(2)6-11-4-5-20-8-11/h4-5,7-10,16H,3,6H2,1-2H3
InChIKeyCVMOWFFHWPVJDK-UHFFFAOYSA-N
XLogP2.79
TPSA55.11 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
CID 115923213
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105089506
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504
4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 62376964
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
5,5-diethyl-N-(1-thiophen-3-ylpropan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250344
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957281
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288308
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435566

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176500079) is 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CCc1cc(NC(C)Cc2ccsc2)c2nncn2n1.
What is the InChIKey of 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is CVMOWFFHWPVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-3-12-7-13(14-17-15-9-19(14)18-12)16-10(2)6-11-4-5-20-8-11/h4-5,7-10,16H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 287.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176500079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).