N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide

C12H13N3O2 — CID 14971533

IUPACN-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2ccccc2)=NN1
InChIInChI=1S/C12H13N3O2/c16-11-7-6-10(14-15-11)8-13-12(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,17)(H,15,16)
InChIKeyUFOVABHOFZLITJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.68
Rot. Bonds3

About N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide

N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide (PubChem CID 14971533) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide
PubChem CID14971533
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2ccccc2)=NN1
InChIInChI=1S/C12H13N3O2/c16-11-7-6-10(14-15-11)8-13-12(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,17)(H,15,16)
InChIKeyUFOVABHOFZLITJ-UHFFFAOYSA-N
XLogP0.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 20765705
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide
CID 14971536
N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467706
N-(pyridin-1-ium-2-ylmethyl)benzamide chloride
CID 74766050
[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194920
3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one
CID 25022419
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 107861371
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328

Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide?
The IUPAC name of N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide (CID 14971533) is N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide is O=C1CCC(CNC(=O)c2ccccc2)=NN1.
What is the InChIKey of N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide?
The InChIKey is UFOVABHOFZLITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-7-6-10(14-15-11)8-13-12(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,17)(H,15,16).
What are the key properties of N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide?
N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide has a molecular weight of 231.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide is sourced from PubChem (CID 14971533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).