3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C17H25N7O — CID 171323647

IUPAC3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3ccc(N4CCCCC4)nn3)CC2)n1
InChIInChI=1S/C17H25N7O/c1-14-18-17(25-21-14)13-22-9-11-24(12-10-22)16-6-5-15(19-20-16)23-7-3-2-4-8-23/h5-6H,2-4,7-13H2,1H3
InChIKeyMUCIGPDDVHJLLJ-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.48
Rot. Bonds4

About 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 171323647) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID171323647
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3ccc(N4CCCCC4)nn3)CC2)n1
InChIInChI=1S/C17H25N7O/c1-14-18-17(25-21-14)13-22-9-11-24(12-10-22)16-6-5-15(19-20-16)23-7-3-2-4-8-23/h5-6H,2-4,7-13H2,1H3
InChIKeyMUCIGPDDVHJLLJ-UHFFFAOYSA-N
XLogP1.48
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 139027734
2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171996122
5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 71933012
5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 133344817
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 60503705
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 139028780
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
3-(2-methylphenyl)-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133418498

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 171323647) is 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1noc(CN2CCN(c3ccc(N4CCCCC4)nn3)CC2)n1.
What is the InChIKey of 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MUCIGPDDVHJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-14-18-17(25-21-14)13-22-9-11-24(12-10-22)16-6-5-15(19-20-16)23-7-3-2-4-8-23/h5-6H,2-4,7-13H2,1H3.
What are the key properties of 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 343.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 171323647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).