3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole

C16H22N6OS — CID 126861981

IUPAC3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccc(OCCN2CCN(c3nc(C4CC4)ns3)CC2)nn1
InChIInChI=1S/C16H22N6OS/c1-12-2-5-14(19-18-12)23-11-10-21-6-8-22(9-7-21)16-17-15(20-24-16)13-3-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyZNMIDVCFNBPDLI-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.71
Rot. Bonds6

About 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 126861981) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID126861981
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccc(OCCN2CCN(c3nc(C4CC4)ns3)CC2)nn1
InChIInChI=1S/C16H22N6OS/c1-12-2-5-14(19-18-12)23-11-10-21-6-8-22(9-7-21)16-17-15(20-24-16)13-3-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyZNMIDVCFNBPDLI-UHFFFAOYSA-N
XLogP1.71
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole (CID 126861981) is 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole is Cc1ccc(OCCN2CCN(c3nc(C4CC4)ns3)CC2)nn1.
What is the InChIKey of 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is ZNMIDVCFNBPDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-12-2-5-14(19-18-12)23-11-10-21-6-8-22(9-7-21)16-17-15(20-24-16)13-3-4-13/h2,5,13H,3-4,6-11H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 346.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 126861981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).