2-(3-amino-2-ethoxypropyl)pyridazin-3-one

C9H15N3O2 — CID 63072355

IUPAC2-(3-amino-2-ethoxypropyl)pyridazin-3-one
SMILESCCOC(CN)Cn1ncccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-14-8(6-10)7-12-9(13)4-3-5-11-12/h3-5,8H,2,6-7,10H2,1H3
InChIKeySOLNRSZCPCLOSH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.39
Rot. Bonds5

About 2-(3-amino-2-ethoxypropyl)pyridazin-3-one

2-(3-amino-2-ethoxypropyl)pyridazin-3-one (PubChem CID 63072355) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)pyridazin-3-one
PubChem CID63072355
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(3-amino-2-ethoxypropyl)pyridazin-3-one
SMILESCCOC(CN)Cn1ncccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-14-8(6-10)7-12-9(13)4-3-5-11-12/h3-5,8H,2,6-7,10H2,1H3
InChIKeySOLNRSZCPCLOSH-UHFFFAOYSA-N
XLogP-0.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)pyridazin-3-one?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)pyridazin-3-one (CID 63072355) is 2-(3-amino-2-ethoxypropyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)pyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)pyridazin-3-one is CCOC(CN)Cn1ncccc1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)pyridazin-3-one?
The InChIKey is SOLNRSZCPCLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-14-8(6-10)7-12-9(13)4-3-5-11-12/h3-5,8H,2,6-7,10H2,1H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)pyridazin-3-one?
2-(3-amino-2-ethoxypropyl)pyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)pyridazin-3-one is sourced from PubChem (CID 63072355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).