4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline

C11H11N5OS — CID 82485107

IUPAC4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
SMILESCOc1ccc(N)cc1-c1nnc2sc(C)nn12
InChIInChI=1S/C11H11N5OS/c1-6-15-16-10(13-14-11(16)18-6)8-5-7(12)3-4-9(8)17-2/h3-5H,12H2,1-2H3
InChIKeyTXTNUASSZJXDTH-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.75
Rot. Bonds2

About 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline

4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline (PubChem CID 82485107) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
PubChem CID82485107
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
SMILESCOc1ccc(N)cc1-c1nnc2sc(C)nn12
InChIInChI=1S/C11H11N5OS/c1-6-15-16-10(13-14-11(16)18-6)8-5-7(12)3-4-9(8)17-2/h3-5H,12H2,1-2H3
InChIKeyTXTNUASSZJXDTH-UHFFFAOYSA-N
XLogP1.75
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-tert-butyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-methoxyaniline
CID 82166687
3-(5-chloro-2-methoxyphenyl)-6-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16766991
4-methoxy-3-(1-methyltetrazol-5-yl)aniline
CID 61352259
3-(5-chloro-2-methoxyphenyl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 26434308
4-methoxy-3-[3-(2-methoxy-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline
CID 57413857
3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
CID 94771493
3-(2-methoxyphenyl)-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 938376
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
4-methoxy-3-(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)aniline
CID 82167467
6-benzyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234092
3-(2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932926
3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2021657

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline?
The IUPAC name of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline (CID 82485107) is 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline?
The canonical SMILES for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline is COc1ccc(N)cc1-c1nnc2sc(C)nn12.
What is the InChIKey of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline?
The InChIKey is TXTNUASSZJXDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-6-15-16-10(13-14-11(16)18-6)8-5-7(12)3-4-9(8)17-2/h3-5H,12H2,1-2H3.
What are the key properties of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline?
4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline has a molecular weight of 261.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline is sourced from PubChem (CID 82485107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).