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

C10H17N3O2 — CID 103222646

IUPAC5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)7-13-10(14)5-9(6-12-13)15-4-3-11/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyLCOKRGHNQPRNGK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.24
Rot. Bonds5

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

5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 103222646) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID103222646
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)7-13-10(14)5-9(6-12-13)15-4-3-11/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyLCOKRGHNQPRNGK-UHFFFAOYSA-N
XLogP0.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103222856
5-(2-Aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103222873
5-(2-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223073
5-(2-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223090
5-(3-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223282
5-(3-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223299
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
methyl N-[2-(1-tert-butyl-6-oxopyridazin-4-yl)oxyethyl]carbamate
CID 56683966
5-(2-Aminoethoxy)-2-methylpyridazin-3-one
CID 84075911
5-(2-Methylpropylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 103221585
2-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221724
5-(2-Aminoethoxy)-2-nonylpyridazin-3-one
CID 103222643

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one (CID 103222646) is 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is LCOKRGHNQPRNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)7-13-10(14)5-9(6-12-13)15-4-3-11/h5-6,8H,3-4,7,11H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103222646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).