4-amino-N-pyridazin-3-ylbenzamide

C11H10N4O — CID 116785969

IUPAC4-amino-N-pyridazin-3-ylbenzamide
SMILESNc1ccc(C(=O)Nc2cccnn2)cc1
InChIInChI=1S/C11H10N4O/c12-9-5-3-8(4-6-9)11(16)14-10-2-1-7-13-15-10/h1-7H,12H2,(H,14,15,16)
InChIKeyMFGYQGWFKPOVLM-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-N-pyridazin-3-ylbenzamide

4-amino-N-pyridazin-3-ylbenzamide (PubChem CID 116785969) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-amino-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name4-amino-N-pyridazin-3-ylbenzamide
PubChem CID116785969
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-amino-N-pyridazin-3-ylbenzamide
SMILESNc1ccc(C(=O)Nc2cccnn2)cc1
InChIInChI=1S/C11H10N4O/c12-9-5-3-8(4-6-9)11(16)14-10-2-1-7-13-15-10/h1-7H,12H2,(H,14,15,16)
InChIKeyMFGYQGWFKPOVLM-UHFFFAOYSA-N
XLogP1.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide
CID 116786028
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
pyridazin-3-ylurea
CID 13080987
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113238409
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
N-pyridazin-3-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 71222764
3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide
CID 116786009
4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
CID 115635769

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridazin-3-ylbenzamide?
The IUPAC name of 4-amino-N-pyridazin-3-ylbenzamide (CID 116785969) is 4-amino-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 4-amino-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 4-amino-N-pyridazin-3-ylbenzamide is Nc1ccc(C(=O)Nc2cccnn2)cc1.
What is the InChIKey of 4-amino-N-pyridazin-3-ylbenzamide?
The InChIKey is MFGYQGWFKPOVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-9-5-3-8(4-6-9)11(16)14-10-2-1-7-13-15-10/h1-7H,12H2,(H,14,15,16).
What are the key properties of 4-amino-N-pyridazin-3-ylbenzamide?
4-amino-N-pyridazin-3-ylbenzamide has a molecular weight of 214.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 116785969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).