3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

C11H14N4OS — CID 646207

IUPAC3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
SMILESCOc1ccc(CSc2nnc(C)n2N)cc1
InChIInChI=1S/C11H14N4OS/c1-8-13-14-11(15(8)12)17-7-9-3-5-10(16-2)6-4-9/h3-6H,7,12H2,1-2H3
InChIKeyCLMOJFWZFPCOPS-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.60
Rot. Bonds4

About 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine (PubChem CID 646207) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
PubChem CID646207
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
SMILESCOc1ccc(CSc2nnc(C)n2N)cc1
InChIInChI=1S/C11H14N4OS/c1-8-13-14-11(15(8)12)17-7-9-3-5-10(16-2)6-4-9/h3-6H,7,12H2,1-2H3
InChIKeyCLMOJFWZFPCOPS-UHFFFAOYSA-N
XLogP1.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine 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-bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
CID 799709
5-methyl-3-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 1946665
6-[4-(difluoromethoxy)phenyl]-3,7-dimethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 4964024
6-(4-methoxyphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 18558490
3-Butyl-5-[(4-ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2901492
6-(4-methoxyphenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 755849
5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 741332
3-[(4-ethoxybenzyl)sulfanyl]-5-propyl-4H-1,2,4-triazol-4-amine
CID 660077
3-[(5-chloro-2-methoxybenzyl)thio]-5-methyl-4H-1,2,4-triazole
CID 662295
3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
CID 662589
5-(4-Methoxyphenyl)-3-[(3-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine
CID 734284
3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 799722

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine (CID 646207) is 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine is COc1ccc(CSc2nnc(C)n2N)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The InChIKey is CLMOJFWZFPCOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-13-14-11(15(8)12)17-7-9-3-5-10(16-2)6-4-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine has a molecular weight of 250.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 646207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).