6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide

C11H16ClN3O2 — CID 106140440

IUPAC6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O2/c1-11(2,5-6-16)7-13-10(17)8-3-4-9(12)15-14-8/h3-4,16H,5-7H2,1-2H3,(H,13,17)
InChIKeyKNIVIYGBFFDSKJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.27
Rot. Bonds5

About 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide

6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide (PubChem CID 106140440) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
PubChem CID106140440
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O2/c1-11(2,5-6-16)7-13-10(17)8-3-4-9(12)15-14-8/h3-4,16H,5-7H2,1-2H3,(H,13,17)
InChIKeyKNIVIYGBFFDSKJ-UHFFFAOYSA-N
XLogP1.27
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide
CID 106276043
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
6-chloropyridazine-3-carbohydrazide
CID 10080848
6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
CID 107865144
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
CID 103772304
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
CID 79357896
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
N-(4-hydroxy-2,2-dimethylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 103824953
2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106139698
N-(2-hydroxy-2-methylpropyl)-6-methylpyridazine-3-carboxamide
CID 118545198

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide (CID 106140440) is 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide is CC(C)(CCO)CNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide?
The InChIKey is KNIVIYGBFFDSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-11(2,5-6-16)7-13-10(17)8-3-4-9(12)15-14-8/h3-4,16H,5-7H2,1-2H3,(H,13,17).
What are the key properties of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide?
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 106140440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).