3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole

C12H16N6S — CID 166199012

IUPAC3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(c3cccnn3)CC2)n1
InChIInChI=1S/C12H16N6S/c1-2-10-14-12(19-16-10)18-8-6-17(7-9-18)11-4-3-5-13-15-11/h3-5H,2,6-9H2,1H3
InChIKeyDDYOQGXHZBKUQZ-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.22
Rot. Bonds3

About 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole

3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 166199012) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID166199012
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(c3cccnn3)CC2)n1
InChIInChI=1S/C12H16N6S/c1-2-10-14-12(19-16-10)18-8-6-17(7-9-18)11-4-3-5-13-15-11/h3-5H,2,6-9H2,1H3
InChIKeyDDYOQGXHZBKUQZ-UHFFFAOYSA-N
XLogP1.22
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133358660
3-ethyl-5-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141837
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol
CID 80702083
5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133389858
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide
CID 133334856
3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328564
3-ethyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 133328698
3-ethyl-5-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133334887
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 133328642
5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133423864

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole (CID 166199012) is 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCN(c3cccnn3)CC2)n1.
What is the InChIKey of 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is DDYOQGXHZBKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-2-10-14-12(19-16-10)18-8-6-17(7-9-18)11-4-3-5-13-15-11/h3-5H,2,6-9H2,1H3.
What are the key properties of 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 276.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 166199012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).