2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one

C10H17N3O2 — CID 138466941

IUPAC2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one
SMILESCC(C)(C)n1nc(NCCO)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)13-9(15)5-4-8(12-13)11-6-7-14/h4-5,14H,6-7H2,1-3H3,(H,11,12)
InChIKeyUQNYSSVYDXSLOX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.40
Rot. Bonds3

About 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one

2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one (PubChem CID 138466941) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one
PubChem CID138466941
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one
SMILESCC(C)(C)n1nc(NCCO)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)13-9(15)5-4-8(12-13)11-6-7-14/h4-5,14H,6-7H2,1-3H3,(H,11,12)
InChIKeyUQNYSSVYDXSLOX-UHFFFAOYSA-N
XLogP0.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one (CID 138466941) is 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one is CC(C)(C)n1nc(NCCO)ccc1=O.
What is the InChIKey of 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one?
The InChIKey is UQNYSSVYDXSLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)13-9(15)5-4-8(12-13)11-6-7-14/h4-5,14H,6-7H2,1-3H3,(H,11,12).
What are the key properties of 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one?
2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-hydroxyethylamino)pyridazin-3-one is sourced from PubChem (CID 138466941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).