3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole

C11H14N6S — CID 19608320

IUPAC3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccc(N3CCNCC3)nn2)n1
InChIInChI=1S/C11H14N6S/c1-8-13-11(18-16-8)9-2-3-10(15-14-9)17-6-4-12-5-7-17/h2-3,12H,4-7H2,1H3
InChIKeyAIINJXGFSCTSAR-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.71
Rot. Bonds2

About 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole

3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole (PubChem CID 19608320) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole
PubChem CID19608320
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccc(N3CCNCC3)nn2)n1
InChIInChI=1S/C11H14N6S/c1-8-13-11(18-16-8)9-2-3-10(15-14-9)17-6-4-12-5-7-17/h2-3,12H,4-7H2,1H3
InChIKeyAIINJXGFSCTSAR-UHFFFAOYSA-N
XLogP0.71
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole (CID 19608320) is 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole is Cc1nsc(-c2ccc(N3CCNCC3)nn2)n1.
What is the InChIKey of 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole?
The InChIKey is AIINJXGFSCTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-8-13-11(18-16-8)9-2-3-10(15-14-9)17-6-4-12-5-7-17/h2-3,12H,4-7H2,1H3.
What are the key properties of 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole?
3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole has a molecular weight of 262.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 19608320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).