2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole

C8H11N3S — CID 134314490

IUPAC2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole
SMILESCC1N=C(c2ccsc2)NN1C
InChIInChI=1S/C8H11N3S/c1-6-9-8(10-11(6)2)7-3-4-12-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyDSQSUBXAQMHSIM-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.29
Rot. Bonds1

About 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole

2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole (PubChem CID 134314490) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole
PubChem CID134314490
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole
SMILESCC1N=C(c2ccsc2)NN1C
InChIInChI=1S/C8H11N3S/c1-6-9-8(10-11(6)2)7-3-4-12-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyDSQSUBXAQMHSIM-UHFFFAOYSA-N
XLogP1.29
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole?
The IUPAC name of 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole (CID 134314490) is 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole.
What is the SMILES notation for 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole?
The canonical SMILES for 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole is CC1N=C(c2ccsc2)NN1C.
What is the InChIKey of 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole?
The InChIKey is DSQSUBXAQMHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-6-9-8(10-11(6)2)7-3-4-12-5-7/h3-6H,1-2H3,(H,9,10).
What are the key properties of 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole?
2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole has a molecular weight of 181.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole is sourced from PubChem (CID 134314490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).