5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one

C15H23N3O2 — CID 103223265

IUPAC5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one
SMILESNCCCOc1cnn(CC2CC3CCC2C3)c(=O)c1
InChIInChI=1S/C15H23N3O2/c16-4-1-5-20-14-8-15(19)18(17-9-14)10-13-7-11-2-3-12(13)6-11/h8-9,11-13H,1-7,10,16H2
InChIKeyGLTQKAPAQDHGRT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.41
Rot. Bonds6

About 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one

5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one (PubChem CID 103223265) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one
PubChem CID103223265
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one
SMILESNCCCOc1cnn(CC2CC3CCC2C3)c(=O)c1
InChIInChI=1S/C15H23N3O2/c16-4-1-5-20-14-8-15(19)18(17-9-14)10-13-7-11-2-3-12(13)6-11/h8-9,11-13H,1-7,10,16H2
InChIKeyGLTQKAPAQDHGRT-UHFFFAOYSA-N
XLogP1.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-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-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one (CID 103223265) is 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one is NCCCOc1cnn(CC2CC3CCC2C3)c(=O)c1.
What is the InChIKey of 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one?
The InChIKey is GLTQKAPAQDHGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-4-1-5-20-14-8-15(19)18(17-9-14)10-13-7-11-2-3-12(13)6-11/h8-9,11-13H,1-7,10,16H2.
What are the key properties of 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one?
5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-(2-bicyclo[2.2.1]heptanylmethyl)pyridazin-3-one is sourced from PubChem (CID 103223265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).