N-(4-hydroxybutyl)pyridazine-4-carboxamide

C9H13N3O2 — CID 106843632

IUPACN-(4-hydroxybutyl)pyridazine-4-carboxamide
SMILESO=C(NCCCCO)c1ccnnc1
InChIInChI=1S/C9H13N3O2/c13-6-2-1-4-10-9(14)8-3-5-11-12-7-8/h3,5,7,13H,1-2,4,6H2,(H,10,14)
InChIKeyAINIMMGIOFBOJC-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.02
Rot. Bonds5

About N-(4-hydroxybutyl)pyridazine-4-carboxamide

N-(4-hydroxybutyl)pyridazine-4-carboxamide (PubChem CID 106843632) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(4-hydroxybutyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)pyridazine-4-carboxamide
PubChem CID106843632
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(4-hydroxybutyl)pyridazine-4-carboxamide
SMILESO=C(NCCCCO)c1ccnnc1
InChIInChI=1S/C9H13N3O2/c13-6-2-1-4-10-9(14)8-3-5-11-12-7-8/h3,5,7,13H,1-2,4,6H2,(H,10,14)
InChIKeyAINIMMGIOFBOJC-UHFFFAOYSA-N
XLogP-0.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129
N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
N-(2-sulfamoylethyl)pyridazine-4-carboxamide
CID 115769360
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)pyridazine-4-carboxamide (CID 106843632) is N-(4-hydroxybutyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)pyridazine-4-carboxamide is O=C(NCCCCO)c1ccnnc1.
What is the InChIKey of N-(4-hydroxybutyl)pyridazine-4-carboxamide?
The InChIKey is AINIMMGIOFBOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-6-2-1-4-10-9(14)8-3-5-11-12-7-8/h3,5,7,13H,1-2,4,6H2,(H,10,14).
What are the key properties of N-(4-hydroxybutyl)pyridazine-4-carboxamide?
N-(4-hydroxybutyl)pyridazine-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)pyridazine-4-carboxamide is sourced from PubChem (CID 106843632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).