5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

C10H17N3O3 — CID 103222784

IUPAC5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C10H17N3O3/c1-8(7-14)6-13-10(15)4-9(5-12-13)16-3-2-11/h4-5,8,14H,2-3,6-7,11H2,1H3
InChIKeyWZIIFTMSWRSYKS-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.79
Rot. Bonds6

About 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (PubChem CID 103222784) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
PubChem CID103222784
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C10H17N3O3/c1-8(7-14)6-13-10(15)4-9(5-12-13)16-3-2-11/h4-5,8,14H,2-3,6-7,11H2,1H3
InChIKeyWZIIFTMSWRSYKS-UHFFFAOYSA-N
XLogP-0.79
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (CID 103222784) is 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is CC(CO)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The InChIKey is WZIIFTMSWRSYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8(7-14)6-13-10(15)4-9(5-12-13)16-3-2-11/h4-5,8,14H,2-3,6-7,11H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103222784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).