5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole

C7H9N3S — CID 123802433

IUPAC5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole
SMILESCC1=NC(c2ccsc2)NN1
InChIInChI=1S/C7H9N3S/c1-5-8-7(10-9-5)6-2-3-11-4-6/h2-4,7,10H,1H3,(H,8,9)
InChIKeyDNDVZFIWKQWNAJ-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.27
Rot. Bonds1

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

5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole (PubChem CID 123802433) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole
PubChem CID123802433
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole
SMILESCC1=NC(c2ccsc2)NN1
InChIInChI=1S/C7H9N3S/c1-5-8-7(10-9-5)6-2-3-11-4-6/h2-4,7,10H,1H3,(H,8,9)
InChIKeyDNDVZFIWKQWNAJ-UHFFFAOYSA-N
XLogP1.27
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole (CID 123802433) is 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole is CC1=NC(c2ccsc2)NN1.
What is the InChIKey of 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole?
The InChIKey is DNDVZFIWKQWNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-5-8-7(10-9-5)6-2-3-11-4-6/h2-4,7,10H,1H3,(H,8,9).
What are the key properties of 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole?
5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole has a molecular weight of 167.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-3-yl-2,3-dihydro-1H-1,2,4-triazole is sourced from PubChem (CID 123802433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).