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

C13H18N6O2 — CID 166604581

IUPAC2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCc1nc(CN2CCN(c3ccc(=O)n(C)n3)CC2)no1
InChIInChI=1S/C13H18N6O2/c1-10-14-11(16-21-10)9-18-5-7-19(8-6-18)12-3-4-13(20)17(2)15-12/h3-4H,5-9H2,1-2H3
InChIKeyIUHOFBPGVPZCFK-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.21
Rot. Bonds3

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

2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 166604581) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
PubChem CID166604581
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCc1nc(CN2CCN(c3ccc(=O)n(C)n3)CC2)no1
InChIInChI=1S/C13H18N6O2/c1-10-14-11(16-21-10)9-18-5-7-19(8-6-18)12-3-4-13(20)17(2)15-12/h3-4H,5-9H2,1-2H3
InChIKeyIUHOFBPGVPZCFK-UHFFFAOYSA-N
XLogP-0.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 133342751
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907
3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896916
2-methyl-6-pyrrolidin-1-ylpyridazin-3-one
CID 130616620
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 163349084
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133342735
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342811
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75433334
2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
CID 163347818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one (CID 166604581) is 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one is Cc1nc(CN2CCN(c3ccc(=O)n(C)n3)CC2)no1.
What is the InChIKey of 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is IUHOFBPGVPZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-10-14-11(16-21-10)9-18-5-7-19(8-6-18)12-3-4-13(20)17(2)15-12/h3-4H,5-9H2,1-2H3.
What are the key properties of 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 290.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 166604581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).