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

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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).