[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C17H24N8OS — CID 121053966

IUPAC[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc(N3CCN(C)CC3)nn2)CC1
InChIInChI=1S/C17H24N8OS/c1-13-16(27-21-18-13)17(26)25-11-9-24(10-12-25)15-4-3-14(19-20-15)23-7-5-22(2)6-8-23/h3-4H,5-12H2,1-2H3
InChIKeyHIWOQNNVIGAXMA-UHFFFAOYSA-N
MW388.50 g/mol
LogP0.35
Rot. Bonds3

About [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 121053966) has the molecular formula C17H24N8OS and a molecular weight of 388.50 g/mol. Its IUPAC name is [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID121053966
Molecular FormulaC17H24N8OS
Molecular Weight388.50 g/mol
Exact Mass388.18
IUPAC Name[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc(N3CCN(C)CC3)nn2)CC1
InChIInChI=1S/C17H24N8OS/c1-13-16(27-21-18-13)17(26)25-11-9-24(10-12-25)15-4-3-14(19-20-15)23-7-5-22(2)6-8-23/h3-4H,5-12H2,1-2H3
InChIKeyHIWOQNNVIGAXMA-UHFFFAOYSA-N
XLogP0.35
TPSA81.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121058795
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122336406
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336413
1-[4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122336493
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 56699266
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 122336407
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121053835
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894138
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335319

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 121053966) is [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(c2ccc(N3CCN(C)CC3)nn2)CC1.
What is the InChIKey of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is HIWOQNNVIGAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8OS/c1-13-16(27-21-18-13)17(26)25-11-9-24(10-12-25)15-4-3-14(19-20-15)23-7-5-22(2)6-8-23/h3-4H,5-12H2,1-2H3.
What are the key properties of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 388.50 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 121053966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).