5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

C7H7N3S — CID 118564355

IUPAC5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
SMILESc1csc(Cc2ncn[nH]2)c1
InChIInChI=1S/C7H7N3S/c1-2-6(11-3-1)4-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10)
InChIKeyFUGLPROWLAHWDX-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.46
Rot. Bonds2

About 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole (PubChem CID 118564355) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
PubChem CID118564355
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
SMILESc1csc(Cc2ncn[nH]2)c1
InChIInChI=1S/C7H7N3S/c1-2-6(11-3-1)4-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10)
InChIKeyFUGLPROWLAHWDX-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(thiophen-2-ylmethyl)-1H-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

Related Compounds

5-(thiophen-2-ylmethyl)pyrimidine
CID 166530274
2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885294
3-propyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 61336540
2-(thiophen-2-ylmethylsulfanyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519144
2-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716446
5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
CID 141117900
[6-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 121206379
3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
CID 18700646
5-[[2,4,6-trimethyl-3,5-bis(1H-1,2,4-triazol-5-ylmethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 171783575
5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
CID 71061784
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
3-(pyrrolidin-1-ylmethyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 131889257

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole (CID 118564355) is 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole is c1csc(Cc2ncn[nH]2)c1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The InChIKey is FUGLPROWLAHWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-6(11-3-1)4-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10).
What are the key properties of 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole has a molecular weight of 165.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 118564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).