3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole

C7H6N4S — CID 139533974

IUPAC3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccnnc2)n1
InChIInChI=1S/C7H6N4S/c1-5-10-7(12-11-5)6-2-3-8-9-4-6/h2-4H,1H3
InChIKeyLPFMPZCLRWQQFC-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.30
Rot. Bonds1

About 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole

3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole (PubChem CID 139533974) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole
PubChem CID139533974
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccnnc2)n1
InChIInChI=1S/C7H6N4S/c1-5-10-7(12-11-5)6-2-3-8-9-4-6/h2-4H,1H3
InChIKeyLPFMPZCLRWQQFC-UHFFFAOYSA-N
XLogP1.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole (CID 139533974) is 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole is Cc1nsc(-c2ccnnc2)n1.
What is the InChIKey of 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole?
The InChIKey is LPFMPZCLRWQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-5-10-7(12-11-5)6-2-3-8-9-4-6/h2-4H,1H3.
What are the key properties of 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole?
3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole has a molecular weight of 178.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyridazin-4-yl-1,2,4-thiadiazole is sourced from PubChem (CID 139533974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).