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

C7H9N5S — CID 167868277

IUPAC3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole
SMILESCC(C)c1nc(-c2cnsn2)n[nH]1
InChIInChI=1S/C7H9N5S/c1-4(2)6-9-7(11-10-6)5-3-8-13-12-5/h3-4H,1-2H3,(H,9,10,11)
InChIKeyIFDZDZOIUDIFJX-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.45
Rot. Bonds2

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

3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole (PubChem CID 167868277) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole
PubChem CID167868277
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole
SMILESCC(C)c1nc(-c2cnsn2)n[nH]1
InChIInChI=1S/C7H9N5S/c1-4(2)6-9-7(11-10-6)5-3-8-13-12-5/h3-4H,1-2H3,(H,9,10,11)
InChIKeyIFDZDZOIUDIFJX-UHFFFAOYSA-N
XLogP1.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 61348810
2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374171
3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 61349375
3-(furan-3-yl)-5-propan-2-yl-1H-1,2,4-triazole
CID 61351300
3-(3,4-dichlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 61337508
5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 66155370
3-(6-bromonaphthalen-2-yl)-5-propan-2-yl-1H-1,2,4-triazole
CID 115354133
3-(5-bromo-2-fluorophenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 61349382
3-(3-chloro-1-benzothiophen-2-yl)-5-propan-2-yl-1H-1,2,4-triazole
CID 146131050
2-amino-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenol
CID 61336964
3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 20789046
6-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348821

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole (CID 167868277) is 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole is CC(C)c1nc(-c2cnsn2)n[nH]1.
What is the InChIKey of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole?
The InChIKey is IFDZDZOIUDIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-4(2)6-9-7(11-10-6)5-3-8-13-12-5/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole?
3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole has a molecular weight of 195.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 167868277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).