N-benzyl-6-oxo-1H-pyridazine-3-carboxamide

C12H11N3O2 — CID 660192

IUPACN-benzyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H11N3O2/c16-11-7-6-10(14-15-11)12(17)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,17)(H,15,16)
InChIKeyOJNKLANNSWKJRS-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.70
Rot. Bonds3

About N-benzyl-6-oxo-1H-pyridazine-3-carboxamide

N-benzyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 660192) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-benzyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID660192
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-benzyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H11N3O2/c16-11-7-6-10(14-15-11)12(17)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,17)(H,15,16)
InChIKeyOJNKLANNSWKJRS-UHFFFAOYSA-N
XLogP0.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 2579680
N-benzyl-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 774094
2-benzyl-6-phenylpyridazin-3(2H)-one
CID 6459134
2-Benzyl-6-(hydroxymethyl)pyridazin-3-one
CID 52945483
1-Benzyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 683539
N-butyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3239462
N-(diphenylmethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4916030
N-benzyl-4-oxo-4-[2-(1-phenylbutylidene)hydrazino]butanamide
CID 6392140
N-[3-(2-ethylidenehydrazino)-3-oxopropyl]benzamide
CID 9640999

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-oxo-1H-pyridazine-3-carboxamide (CID 660192) is N-benzyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-benzyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is OJNKLANNSWKJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-7-6-10(14-15-11)12(17)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,17)(H,15,16).
What are the key properties of N-benzyl-6-oxo-1H-pyridazine-3-carboxamide?
N-benzyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 660192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).