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

C19H19N5S — CID 133356765

IUPACN-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(Cc1ccsc1)N(C)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H19N5S/c1-14(12-15-10-11-25-13-15)23(2)18-9-8-17-20-21-19(24(17)22-18)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3
InChIKeyZHSUWBRTKNKHOY-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.92
Rot. Bonds5

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

N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133356765) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133356765
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC NameN-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(Cc1ccsc1)N(C)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H19N5S/c1-14(12-15-10-11-25-13-15)23(2)18-9-8-17-20-21-19(24(17)22-18)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3
InChIKeyZHSUWBRTKNKHOY-UHFFFAOYSA-N
XLogP3.92
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133412957
N-(1-benzofuran-2-ylmethyl)-N-methyl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492278
N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356751
N-methyl-N-(1-oxothian-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492366
N-pentan-3-yl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488071
N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 133356717
6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one
CID 167777764
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166
3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245965
2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 133356712
3-chloro-5-phenyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385746
3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245966

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133356765) is N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(Cc1ccsc1)N(C)c1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZHSUWBRTKNKHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-14(12-15-10-11-25-13-15)23(2)18-9-8-17-20-21-19(24(17)22-18)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3.
What are the key properties of N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 349.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133356765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).