2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one

C22H22ClN3O2 — CID 133353364

IUPAC2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCOC2c2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-20-19(14-25-26(22(20)27)15-16-7-3-1-4-8-16)24-13-18-11-12-28-21(18)17-9-5-2-6-10-17/h1-10,14,18,21,24H,11-13,15H2
InChIKeyNRFGFRDXYWYVAZ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.13
Rot. Bonds6

About 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one

2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one (PubChem CID 133353364) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one
PubChem CID133353364
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCOC2c2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-20-19(14-25-26(22(20)27)15-16-7-3-1-4-8-16)24-13-18-11-12-28-21(18)17-9-5-2-6-10-17/h1-10,14,18,21,24H,11-13,15H2
InChIKeyNRFGFRDXYWYVAZ-UHFFFAOYSA-N
XLogP4.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyridazin-3-one
CID 133385626
2-benzyl-4-chloro-5-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]pyridazin-3-one
CID 133399133
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
2-benzyl-4-chloro-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496774
2-benzyl-4-chloro-5-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]pyridazin-3-one
CID 55831047
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
CID 133290057
methyl N-[4-[[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]phenyl]carbamate
CID 60504808
4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile
CID 133353309
4-chloro-5-(oxan-3-ylmethylamino)-2-phenylpyridazin-3-one;2-cyclopropyloxolane
CID 168964040
2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133278022
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
CID 133310951

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one (CID 133353364) is 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one is O=c1c(Cl)c(NCC2CCOC2c2ccccc2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one?
The InChIKey is NRFGFRDXYWYVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-20-19(14-25-26(22(20)27)15-16-7-3-1-4-8-16)24-13-18-11-12-28-21(18)17-9-5-2-6-10-17/h1-10,14,18,21,24H,11-13,15H2.
What are the key properties of 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one?
2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one has a molecular weight of 395.89 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 133353364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).