1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine

C11H12N4OS — CID 71834188

IUPAC1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cccc(C=Nn2cnnc2SC)c1
InChIInChI=1S/C11H12N4OS/c1-16-10-5-3-4-9(6-10)7-13-15-8-12-14-11(15)17-2/h3-8H,1-2H3
InChIKeySRYWQLSYGKDQPW-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.89
Rot. Bonds4

About 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine

1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 71834188) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
PubChem CID71834188
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cccc(C=Nn2cnnc2SC)c1
InChIInChI=1S/C11H12N4OS/c1-16-10-5-3-4-9(6-10)7-13-15-8-12-14-11(15)17-2/h3-8H,1-2H3
InChIKeySRYWQLSYGKDQPW-UHFFFAOYSA-N
XLogP1.89
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine (CID 71834188) is 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine is COc1cccc(C=Nn2cnnc2SC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is SRYWQLSYGKDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-16-10-5-3-4-9(6-10)7-13-15-8-12-14-11(15)17-2/h3-8H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 248.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 71834188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).