5-(2-aminoethoxy)-2-decylpyridazin-3-one

C16H29N3O2 — CID 103222722

IUPAC5-(2-aminoethoxy)-2-decylpyridazin-3-one
SMILESCCCCCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C16H29N3O2/c1-2-3-4-5-6-7-8-9-11-19-16(20)13-15(14-18-19)21-12-10-17/h13-14H,2-12,17H2,1H3
InChIKeyDHTFBCWDZHVCGX-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.72
Rot. Bonds12

About 5-(2-aminoethoxy)-2-decylpyridazin-3-one

5-(2-aminoethoxy)-2-decylpyridazin-3-one (PubChem CID 103222722) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-decylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-decylpyridazin-3-one
PubChem CID103222722
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name5-(2-aminoethoxy)-2-decylpyridazin-3-one
SMILESCCCCCCCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C16H29N3O2/c1-2-3-4-5-6-7-8-9-11-19-16(20)13-15(14-18-19)21-12-10-17/h13-14H,2-12,17H2,1H3
InChIKeyDHTFBCWDZHVCGX-UHFFFAOYSA-N
XLogP2.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-aminoethoxy)-2-decylpyridazin-3-one 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 5-(2-aminoethoxy)-2-decylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-decylpyridazin-3-one (CID 103222722) is 5-(2-aminoethoxy)-2-decylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-decylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-decylpyridazin-3-one is CCCCCCCCCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-decylpyridazin-3-one?
The InChIKey is DHTFBCWDZHVCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-3-4-5-6-7-8-9-11-19-16(20)13-15(14-18-19)21-12-10-17/h13-14H,2-12,17H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-decylpyridazin-3-one?
5-(2-aminoethoxy)-2-decylpyridazin-3-one has a molecular weight of 295.43 g/mol, XLogP of 2.72, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-decylpyridazin-3-one is sourced from PubChem (CID 103222722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).