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

C15H22N6O3 — CID 126913819

IUPAC2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCOCc1noc(N2CCN(CCn3nc(C)ccc3=O)CC2)n1
InChIInChI=1S/C15H22N6O3/c1-12-3-4-14(22)21(17-12)10-7-19-5-8-20(9-6-19)15-16-13(11-23-2)18-24-15/h3-4H,5-11H2,1-2H3
InChIKeyUHSHXHMCIHAPNY-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.10
Rot. Bonds6

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

2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913819) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913819
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCOCc1noc(N2CCN(CCn3nc(C)ccc3=O)CC2)n1
InChIInChI=1S/C15H22N6O3/c1-12-3-4-14(22)21(17-12)10-7-19-5-8-20(9-6-19)15-16-13(11-23-2)18-24-15/h3-4H,5-11H2,1-2H3
InChIKeyUHSHXHMCIHAPNY-UHFFFAOYSA-N
XLogP-0.10
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913819) is 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is COCc1noc(N2CCN(CCn3nc(C)ccc3=O)CC2)n1.
What is the InChIKey of 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is UHSHXHMCIHAPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-12-3-4-14(22)21(17-12)10-7-19-5-8-20(9-6-19)15-16-13(11-23-2)18-24-15/h3-4H,5-11H2,1-2H3.
What are the key properties of 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 334.38 g/mol, XLogP of -0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).