5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one

C10H17N3O3 — CID 103218380

IUPAC5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
SMILESCOCCCOCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O3/c1-15-4-2-5-16-6-3-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3
InChIKeyXOOPKRWNUVEYQX-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.12
Rot. Bonds7

About 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one

5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one (PubChem CID 103218380) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
PubChem CID103218380
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
SMILESCOCCCOCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O3/c1-15-4-2-5-16-6-3-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3
InChIKeyXOOPKRWNUVEYQX-UHFFFAOYSA-N
XLogP-0.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one (CID 103218380) is 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one is COCCCOCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
The InChIKey is XOOPKRWNUVEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-15-4-2-5-16-6-3-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3.
What are the key properties of 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one?
5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103218380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).