6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

C15H22N6O2 — CID 126913663

IUPAC6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nc(C)no3)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-12-3-4-15(22)21(17-12)10-9-19-5-7-20(8-6-19)11-14-16-13(2)18-23-14/h3-4H,5-11H2,1-2H3
InChIKeyHOOAVQMRVYMQGC-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.06
Rot. Bonds5

About 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913663) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913663
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nc(C)no3)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-12-3-4-15(22)21(17-12)10-9-19-5-7-20(8-6-19)11-14-16-13(2)18-23-14/h3-4H,5-11H2,1-2H3
InChIKeyHOOAVQMRVYMQGC-UHFFFAOYSA-N
XLogP0.06
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913735
2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
CID 126913839
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913796
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
6-methyl-2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913805
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
6-methyl-2-propylpyridazin-3-one
CID 12504076

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913663) is 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(Cc3nc(C)no3)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is HOOAVQMRVYMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-12-3-4-15(22)21(17-12)10-9-19-5-7-20(8-6-19)11-14-16-13(2)18-23-14/h3-4H,5-11H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 318.38 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).