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

C14H20N6OS — CID 126861837

IUPAC3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccc(OCCN2CCN(c3nc(C)ns3)CC2)nn1
InChIInChI=1S/C14H20N6OS/c1-11-3-4-13(17-16-11)21-10-9-19-5-7-20(8-6-19)14-15-12(2)18-22-14/h3-4H,5-10H2,1-2H3
InChIKeyWPYPGMYUGVREOT-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.15
Rot. Bonds5

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

3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 126861837) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID126861837
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1ccc(OCCN2CCN(c3nc(C)ns3)CC2)nn1
InChIInChI=1S/C14H20N6OS/c1-11-3-4-13(17-16-11)21-10-9-19-5-7-20(8-6-19)14-15-12(2)18-22-14/h3-4H,5-10H2,1-2H3
InChIKeyWPYPGMYUGVREOT-UHFFFAOYSA-N
XLogP1.15
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole (CID 126861837) is 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole is Cc1ccc(OCCN2CCN(c3nc(C)ns3)CC2)nn1.
What is the InChIKey of 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is WPYPGMYUGVREOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-11-3-4-13(17-16-11)21-10-9-19-5-7-20(8-6-19)14-15-12(2)18-22-14/h3-4H,5-10H2,1-2H3.
What are the key properties of 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 320.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 126861837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).