2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide

C12H13N5O2 — CID 116788140

IUPAC2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESCc1ccc(NN)c(C(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H13N5O2/c1-7-2-3-9(15-13)8(6-7)12(19)14-10-4-5-11(18)17-16-10/h2-6,15H,13H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyURKMMFFIOXQNIS-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.62
Rot. Bonds3

About 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide

2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 116788140) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID116788140
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESCc1ccc(NN)c(C(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H13N5O2/c1-7-2-3-9(15-13)8(6-7)12(19)14-10-4-5-11(18)17-16-10/h2-6,15H,13H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyURKMMFFIOXQNIS-UHFFFAOYSA-N
XLogP0.62
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788149
2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216
2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787212
1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887302
2-hydrazinyl-N-(2-iodophenyl)-5-methylbenzamide
CID 62512985
2-hydrazinyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62510782
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151
6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 116787996
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 107531322
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786983
3-(methylamino)-2-nitro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788082

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 116788140) is 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide is Cc1ccc(NN)c(C(=O)Nc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is URKMMFFIOXQNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-2-3-9(15-13)8(6-7)12(19)14-10-4-5-11(18)17-16-10/h2-6,15H,13H2,1H3,(H,17,18)(H,14,16,19).
What are the key properties of 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 116788140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).