ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide

C13H21N3O2 — CID 168929628

IUPACethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide
SMILESCC.CC(C)c1cnnc(NC(=O)C2COC2)c1
InChIInChI=1S/C11H15N3O2.C2H6/c1-7(2)8-3-10(14-12-4-8)13-11(15)9-5-16-6-9;1-2/h3-4,7,9H,5-6H2,1-2H3,(H,13,14,15);1-2H3
InChIKeyYGIVPUOWUCNRLJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.21
Rot. Bonds3

About ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide

ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide (PubChem CID 168929628) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Nameethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide
PubChem CID168929628
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide
SMILESCC.CC(C)c1cnnc(NC(=O)C2COC2)c1
InChIInChI=1S/C11H15N3O2.C2H6/c1-7(2)8-3-10(14-12-4-8)13-11(15)9-5-16-6-9;1-2/h3-4,7,9H,5-6H2,1-2H3,(H,13,14,15);1-2H3
InChIKeyYGIVPUOWUCNRLJ-UHFFFAOYSA-N
XLogP2.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-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 ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide?
The IUPAC name of ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide (CID 168929628) is ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide.
What is the SMILES notation for ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide?
The canonical SMILES for ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide is CC.CC(C)c1cnnc(NC(=O)C2COC2)c1.
What is the InChIKey of ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide?
The InChIKey is YGIVPUOWUCNRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C2H6/c1-7(2)8-3-10(14-12-4-8)13-11(15)9-5-16-6-9;1-2/h3-4,7,9H,5-6H2,1-2H3,(H,13,14,15);1-2H3.
What are the key properties of ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide?
ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-propan-2-ylpyridazin-3-yl)oxetane-3-carboxamide is sourced from PubChem (CID 168929628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).