4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one

C11H19N3O2 — CID 82467437

IUPAC4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(C)(C)C)cc(N)c1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9-7-8(12)10(15)14(13-9)5-6-16-4/h7H,5-6,12H2,1-4H3
InChIKeyFDLLRDRDKVOVDG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.77
Rot. Bonds3

About 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one

4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 82467437) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID82467437
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(C)(C)C)cc(N)c1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9-7-8(12)10(15)14(13-9)5-6-16-4/h7H,5-6,12H2,1-4H3
InChIKeyFDLLRDRDKVOVDG-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one (CID 82467437) is 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(C(C)(C)C)cc(N)c1=O.
What is the InChIKey of 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is FDLLRDRDKVOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)9-7-8(12)10(15)14(13-9)5-6-16-4/h7H,5-6,12H2,1-4H3.
What are the key properties of 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 82467437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).