3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H18N6O2S — CID 45493193

IUPAC3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(Cn4nc(C)cc4C)nn23)cc1OC
InChIInChI=1S/C17H18N6O2S/c1-10-7-11(2)22(20-10)9-15-21-23-16(18-19-17(23)26-15)12-5-6-13(24-3)14(8-12)25-4/h5-8H,9H2,1-4H3
InChIKeyVWIHGORDCSXGNS-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.73
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 45493193) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID45493193
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(Cn4nc(C)cc4C)nn23)cc1OC
InChIInChI=1S/C17H18N6O2S/c1-10-7-11(2)22(20-10)9-15-21-23-16(18-19-17(23)26-15)12-5-6-13(24-3)14(8-12)25-4/h5-8H,9H2,1-4H3
InChIKeyVWIHGORDCSXGNS-UHFFFAOYSA-N
XLogP2.73
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethoxyphenyl)-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163918
3-(3,4-dimethoxyphenyl)-6-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4895078
3-(3,4-dimethoxyphenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493825
6-[(3,4-dimethoxyphenyl)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 53338183
3-(3,4-dimethoxyphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42647846
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide
CID 22517840
3-(3,4-dimethoxyphenyl)-6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 17190051
2-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 139231652
6-benzyl-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666496
6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3333072
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide
CID 22517879
6-(chloromethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 176898539

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 45493193) is 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2nnc3sc(Cn4nc(C)cc4C)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VWIHGORDCSXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-10-7-11(2)22(20-10)9-15-21-23-16(18-19-17(23)26-15)12-5-6-13(24-3)14(8-12)25-4/h5-8H,9H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 370.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 45493193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).