tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate

C22H24N2O3 — CID 10904586

IUPACtert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1=NN(Cc2ccccc2)C(=O)CC1c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)20-18(17-12-8-5-9-13-17)14-19(25)24(23-20)15-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3
InChIKeyWHVQGTPOVLNBIK-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.90
Rot. Bonds4

About tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate

tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 10904586) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID10904586
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Nametert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1=NN(Cc2ccccc2)C(=O)CC1c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)20-18(17-12-8-5-9-13-17)14-19(25)24(23-20)15-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3
InChIKeyWHVQGTPOVLNBIK-UHFFFAOYSA-N
XLogP3.90
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4R,5R)-1-benzyl-4,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 11726832
propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 70676054
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
tert-butyl 7-benzyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 22490279
tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
CID 68742224
tert-butyl (2S,3R)-1-benzyl-2-phenylpiperidine-3-carboxylate
CID 71501992
2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 14932647
tert-butyl 1,2-dibenzyl-4-oxoazetidine-2-carboxylate
CID 15907320
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate
CID 173186373
tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate
CID 55801992
tert-butyl 4-benzyl-2-(chloromethyl)-5-oxopiperazine-1-carboxylate
CID 132575495
tert-butyl 1-benzyl-5-methyl-2-(trimethylsilylmethyl)-2,3-dihydropyrrole-4-carboxylate
CID 11175816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 10904586) is tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate is CC(C)(C)OC(=O)C1=NN(Cc2ccccc2)C(=O)CC1c1ccccc1.
What is the InChIKey of tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is WHVQGTPOVLNBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)20-18(17-12-8-5-9-13-17)14-19(25)24(23-20)15-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3.
What are the key properties of tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate?
tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-benzyl-6-oxo-4-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 10904586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).