N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H16N6S — CID 133412957

IUPACN-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(CCc1nccs1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C17H16N6S/c1-22(11-9-16-18-10-12-24-16)15-8-7-14-19-20-17(23(14)21-15)13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3
InChIKeyFWJQMLWSWUSFQI-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133412957) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133412957
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC NameN-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(CCc1nccs1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C17H16N6S/c1-22(11-9-16-18-10-12-24-16)15-8-7-14-19-20-17(23(14)21-15)13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3
InChIKeyFWJQMLWSWUSFQI-UHFFFAOYSA-N
XLogP2.93
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one
CID 167777764
N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356765
3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245965
3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245966
3-phenyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133299697
1-[3-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 158562166
N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine
CID 99802743
N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 133412898
N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 133413137
2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413055
N-(1-benzofuran-2-ylmethyl)-N-methyl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492278
3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857719

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133412957) is N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(CCc1nccs1)c1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FWJQMLWSWUSFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-22(11-9-16-18-10-12-24-16)15-8-7-14-19-20-17(23(14)21-15)13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 336.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133412957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).