4-methyl-3-thiophen-3-yl-1,2,4-triazole

C7H7N3S — CID 115395220

IUPAC4-methyl-3-thiophen-3-yl-1,2,4-triazole
SMILESCn1cnnc1-c1ccsc1
InChIInChI=1S/C7H7N3S/c1-10-5-8-9-7(10)6-2-3-11-4-6/h2-5H,1H3
InChIKeyLBVJYYDOGRZVBS-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.54
Rot. Bonds1

About 4-methyl-3-thiophen-3-yl-1,2,4-triazole

4-methyl-3-thiophen-3-yl-1,2,4-triazole (PubChem CID 115395220) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-methyl-3-thiophen-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-thiophen-3-yl-1,2,4-triazole
PubChem CID115395220
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-methyl-3-thiophen-3-yl-1,2,4-triazole
SMILESCn1cnnc1-c1ccsc1
InChIInChI=1S/C7H7N3S/c1-10-5-8-9-7(10)6-2-3-11-4-6/h2-5H,1H3
InChIKeyLBVJYYDOGRZVBS-UHFFFAOYSA-N
XLogP1.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-thiophen-3-yl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-thiophen-3-yl-1,2,4-triazole (CID 115395220) is 4-methyl-3-thiophen-3-yl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-thiophen-3-yl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-thiophen-3-yl-1,2,4-triazole is Cn1cnnc1-c1ccsc1.
What is the InChIKey of 4-methyl-3-thiophen-3-yl-1,2,4-triazole?
The InChIKey is LBVJYYDOGRZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-10-5-8-9-7(10)6-2-3-11-4-6/h2-5H,1H3.
What are the key properties of 4-methyl-3-thiophen-3-yl-1,2,4-triazole?
4-methyl-3-thiophen-3-yl-1,2,4-triazole has a molecular weight of 165.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-thiophen-3-yl-1,2,4-triazole is sourced from PubChem (CID 115395220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).