5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one

C10H17N3O2 — CID 103218442

IUPAC5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
SMILESCC(C)(C)OCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyASYGMGAVSIEZSW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds3

About 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one

5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one (PubChem CID 103218442) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
PubChem CID103218442
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
SMILESCC(C)(C)OCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyASYGMGAVSIEZSW-UHFFFAOYSA-N
XLogP0.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219592
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
5-(Methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 113789723
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206
2-[2-(Aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103073070
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103073071
5-[2-Methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073072
5-[2-Methoxyethyl(methyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073073

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one (CID 103218442) is 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one is CC(C)(C)OCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
The InChIKey is ASYGMGAVSIEZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)15-5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one is sourced from PubChem (CID 103218442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).