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

C18H20N6O2 — CID 120957494

IUPAC2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
SMILESCN1CCNCC1c1noc(-c2ccc(=O)n(Cc3ccccc3)n2)n1
InChIInChI=1S/C18H20N6O2/c1-23-10-9-19-11-15(23)17-20-18(26-22-17)14-7-8-16(25)24(21-14)12-13-5-3-2-4-6-13/h2-8,15,19H,9-12H2,1H3
InChIKeyPYZZTMFHKKEDFJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.92
Rot. Bonds4

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

2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one (PubChem CID 120957494) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
PubChem CID120957494
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
SMILESCN1CCNCC1c1noc(-c2ccc(=O)n(Cc3ccccc3)n2)n1
InChIInChI=1S/C18H20N6O2/c1-23-10-9-19-11-15(23)17-20-18(26-22-17)14-7-8-16(25)24(21-14)12-13-5-3-2-4-6-13/h2-8,15,19H,9-12H2,1H3
InChIKeyPYZZTMFHKKEDFJ-UHFFFAOYSA-N
XLogP0.92
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 120958039
5-(1-benzylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959479
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrazole-5-carboxamide
CID 120957058
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120957367
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
3-(1-methylpiperazin-2-yl)-5-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960090
3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
3-(1-methylpiperazin-2-yl)-5-(6-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
CID 120956822
5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956487
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-(2-methyl-1-phenylpropan-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961522

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one (CID 120957494) is 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one is CN1CCNCC1c1noc(-c2ccc(=O)n(Cc3ccccc3)n2)n1.
What is the InChIKey of 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The InChIKey is PYZZTMFHKKEDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23-10-9-19-11-15(23)17-20-18(26-22-17)14-7-8-16(25)24(21-14)12-13-5-3-2-4-6-13/h2-8,15,19H,9-12H2,1H3.
What are the key properties of 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one has a molecular weight of 352.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one is sourced from PubChem (CID 120957494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).