3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole

C14H13N3S — CID 123936141

IUPAC3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole
SMILESCc1ccccc1-n1c(C)nnc1-c1cccs1
InChIInChI=1S/C14H13N3S/c1-10-6-3-4-7-12(10)17-11(2)15-16-14(17)13-8-5-9-18-13/h3-9H,1-2H3
InChIKeyVVDNLMDNUYIFOK-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds2

About 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole

3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 123936141) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole
PubChem CID123936141
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole
SMILESCc1ccccc1-n1c(C)nnc1-c1cccs1
InChIInChI=1S/C14H13N3S/c1-10-6-3-4-7-12(10)17-11(2)15-16-14(17)13-8-5-9-18-13/h3-9H,1-2H3
InChIKeyVVDNLMDNUYIFOK-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole 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 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole (CID 123936141) is 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole is Cc1ccccc1-n1c(C)nnc1-c1cccs1.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole?
The InChIKey is VVDNLMDNUYIFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-6-3-4-7-12(10)17-11(2)15-16-14(17)13-8-5-9-18-13/h3-9H,1-2H3.
What are the key properties of 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole?
3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 255.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 123936141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).