3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole

C5H5N5S — CID 54258100

IUPAC3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
SMILESCc1nsc(-c2ncn[nH]2)n1
InChIInChI=1S/C5H5N5S/c1-3-8-5(11-10-3)4-6-2-7-9-4/h2H,1H3,(H,6,7,9)
InChIKeySVYIKGUZOJZHMK-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.63
Rot. Bonds1

About 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole

3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole (PubChem CID 54258100) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
PubChem CID54258100
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
SMILESCc1nsc(-c2ncn[nH]2)n1
InChIInChI=1S/C5H5N5S/c1-3-8-5(11-10-3)4-6-2-7-9-4/h2H,1H3,(H,6,7,9)
InChIKeySVYIKGUZOJZHMK-UHFFFAOYSA-N
XLogP0.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1,2,4-Triazol-3-yl)methyl]-2h-tetrazole
CID 129824509
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304762
3,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 18726643
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,4-triazole
CID 53631261
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazole
CID 53631605
3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 53965972
3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole
CID 57135663
5-(1H-1,2,4-triazol-2-ium-2-ylmethyl)-1,2,4-thiadiazole
CID 91210059
3-tert-butyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 139497266
5-tert-butyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 139497471
5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 140974300
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 142391657

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole (CID 54258100) is 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole is Cc1nsc(-c2ncn[nH]2)n1.
What is the InChIKey of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
The InChIKey is SVYIKGUZOJZHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c1-3-8-5(11-10-3)4-6-2-7-9-4/h2H,1H3,(H,6,7,9).
What are the key properties of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole has a molecular weight of 167.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 54258100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).