N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide

C13H19N3O2 — CID 146131284

IUPACN-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccnnc2)C(C)(C)O1
InChIInChI=1S/C13H19N3O2/c1-12(2)7-10(13(3,4)18-12)16-11(17)9-5-6-14-15-8-9/h5-6,8,10H,7H2,1-4H3,(H,16,17)
InChIKeyVTEMALMUHNYJNH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds2

About N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide

N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide (PubChem CID 146131284) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide
PubChem CID146131284
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccnnc2)C(C)(C)O1
InChIInChI=1S/C13H19N3O2/c1-12(2)7-10(13(3,4)18-12)16-11(17)9-5-6-14-15-8-9/h5-6,8,10H,7H2,1-4H3,(H,16,17)
InChIKeyVTEMALMUHNYJNH-UHFFFAOYSA-N
XLogP1.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-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-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide (CID 146131284) is N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide is CC1(C)CC(NC(=O)c2ccnnc2)C(C)(C)O1.
What is the InChIKey of N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide?
The InChIKey is VTEMALMUHNYJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-12(2)7-10(13(3,4)18-12)16-11(17)9-5-6-14-15-8-9/h5-6,8,10H,7H2,1-4H3,(H,16,17).
What are the key properties of N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide?
N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyloxolan-3-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 146131284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).