N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide

C12H19N3O2 — CID 90456816

IUPACN-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide
SMILESCN(CCC(C)(C)CO)C(=O)c1cccnn1
InChIInChI=1S/C12H19N3O2/c1-12(2,9-16)6-8-15(3)11(17)10-5-4-7-13-14-10/h4-5,7,16H,6,8-9H2,1-3H3
InChIKeyRUZTXFGEULUVSB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.96
Rot. Bonds5

About N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide

N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide (PubChem CID 90456816) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide
PubChem CID90456816
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide
SMILESCN(CCC(C)(C)CO)C(=O)c1cccnn1
InChIInChI=1S/C12H19N3O2/c1-12(2,9-16)6-8-15(3)11(17)10-5-4-7-13-14-10/h4-5,7,16H,6,8-9H2,1-3H3
InChIKeyRUZTXFGEULUVSB-UHFFFAOYSA-N
XLogP0.96
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-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

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide (CID 90456816) is N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide is CN(CCC(C)(C)CO)C(=O)c1cccnn1.
What is the InChIKey of N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide?
The InChIKey is RUZTXFGEULUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,9-16)6-8-15(3)11(17)10-5-4-7-13-14-10/h4-5,7,16H,6,8-9H2,1-3H3.
What are the key properties of N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide?
N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 90456816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).