2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide

C12H12N4O2 — CID 102739503

IUPAC2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
SMILESNc1ccc(O)cc1C(=O)NCc1cccnn1
InChIInChI=1S/C12H12N4O2/c13-11-4-3-9(17)6-10(11)12(18)14-7-8-2-1-5-15-16-8/h1-6,17H,7,13H2,(H,14,18)
InChIKeyMZESXZLPCXHQQN-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.69
Rot. Bonds3

About 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide

2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 102739503) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID102739503
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
SMILESNc1ccc(O)cc1C(=O)NCc1cccnn1
InChIInChI=1S/C12H12N4O2/c13-11-4-3-9(17)6-10(11)12(18)14-7-8-2-1-5-15-16-8/h1-6,17H,7,13H2,(H,14,18)
InChIKeyMZESXZLPCXHQQN-UHFFFAOYSA-N
XLogP0.69
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
CID 107074846
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
CID 106832238

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide (CID 102739503) is 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide is Nc1ccc(O)cc1C(=O)NCc1cccnn1.
What is the InChIKey of 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is MZESXZLPCXHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-11-4-3-9(17)6-10(11)12(18)14-7-8-2-1-5-15-16-8/h1-6,17H,7,13H2,(H,14,18).
What are the key properties of 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide?
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 244.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 102739503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).