2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one

C11H19N3O2 — CID 105061669

IUPAC2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(N)C(C)(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(12)7-14-10(15)6-5-9(13-14)16-4/h5-6,8H,7,12H2,1-4H3
InChIKeyGULSEPVESNNOEK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.63
Rot. Bonds3

About 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one

2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one (PubChem CID 105061669) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
PubChem CID105061669
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(N)C(C)(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(12)7-14-10(15)6-5-9(13-14)16-4/h5-6,8H,7,12H2,1-4H3
InChIKeyGULSEPVESNNOEK-UHFFFAOYSA-N
XLogP0.63
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one (CID 105061669) is 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(N)C(C)(C)C)n1.
What is the InChIKey of 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one?
The InChIKey is GULSEPVESNNOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)8(12)7-14-10(15)6-5-9(13-14)16-4/h5-6,8H,7,12H2,1-4H3.
What are the key properties of 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one?
2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).