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

C9H15N3O2 — CID 103218435

IUPAC5-amino-2-(3-ethoxypropyl)pyridazin-3-one
SMILESCCOCCCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O2/c1-2-14-5-3-4-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3
InChIKeyPSCYRMQCSRRMNV-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.25
Rot. Bonds5

About 5-amino-2-(3-ethoxypropyl)pyridazin-3-one

5-amino-2-(3-ethoxypropyl)pyridazin-3-one (PubChem CID 103218435) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-2-(3-ethoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-ethoxypropyl)pyridazin-3-one
PubChem CID103218435
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-2-(3-ethoxypropyl)pyridazin-3-one
SMILESCCOCCCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O2/c1-2-14-5-3-4-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3
InChIKeyPSCYRMQCSRRMNV-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-ethoxypropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-ethoxypropyl)pyridazin-3-one (CID 103218435) is 5-amino-2-(3-ethoxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-ethoxypropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-ethoxypropyl)pyridazin-3-one is CCOCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(3-ethoxypropyl)pyridazin-3-one?
The InChIKey is PSCYRMQCSRRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-14-5-3-4-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3.
What are the key properties of 5-amino-2-(3-ethoxypropyl)pyridazin-3-one?
5-amino-2-(3-ethoxypropyl)pyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-ethoxypropyl)pyridazin-3-one is sourced from PubChem (CID 103218435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).