4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide

C13H13N3O2 — CID 21109039

IUPAC4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
SMILESCc1cc(C(=O)Nc2cccnn2)cc(C)c1O
InChIInChI=1S/C13H13N3O2/c1-8-6-10(7-9(2)12(8)17)13(18)15-11-4-3-5-14-16-11/h3-7,17H,1-2H3,(H,15,16,18)
InChIKeyJAZAPHUKUXKLGF-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.05
Rot. Bonds2

About 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide

4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide (PubChem CID 21109039) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
PubChem CID21109039
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
SMILESCc1cc(C(=O)Nc2cccnn2)cc(C)c1O
InChIInChI=1S/C13H13N3O2/c1-8-6-10(7-9(2)12(8)17)13(18)15-11-4-3-5-14-16-11/h3-7,17H,1-2H3,(H,15,16,18)
InChIKeyJAZAPHUKUXKLGF-UHFFFAOYSA-N
XLogP2.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 21109041
5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113238409
pyridazin-3-ylurea
CID 13080987
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865
N-pyridazin-3-yl-1H-indole-5-carboxamide
CID 115635745
1-(2,5-dimethylphenyl)-3-pyridazin-3-ylurea
CID 86818398
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
2-methyl-4-(propylamino)-N-pyridazin-3-ylbenzamide
CID 116787892

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide?
The IUPAC name of 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide (CID 21109039) is 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide is Cc1cc(C(=O)Nc2cccnn2)cc(C)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide?
The InChIKey is JAZAPHUKUXKLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-6-10(7-9(2)12(8)17)13(18)15-11-4-3-5-14-16-11/h3-7,17H,1-2H3,(H,15,16,18).
What are the key properties of 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide?
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide has a molecular weight of 243.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 21109039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).