2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one

C11H19N3O — CID 62848545

IUPAC2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one
SMILESCNC(Cn1ncccc1=O)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(12-4)8-14-10(15)6-5-7-13-14/h5-7,9,12H,8H2,1-4H3
InChIKeyNEWDDEWGLWWEPN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds3

About 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one

2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one (PubChem CID 62848545) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one
PubChem CID62848545
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one
SMILESCNC(Cn1ncccc1=O)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(12-4)8-14-10(15)6-5-7-13-14/h5-7,9,12H,8H2,1-4H3
InChIKeyNEWDDEWGLWWEPN-UHFFFAOYSA-N
XLogP0.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one?
The IUPAC name of 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one (CID 62848545) is 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one?
The canonical SMILES for 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one is CNC(Cn1ncccc1=O)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one?
The InChIKey is NEWDDEWGLWWEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9(12-4)8-14-10(15)6-5-7-13-14/h5-7,9,12H,8H2,1-4H3.
What are the key properties of 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one?
2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-2-(methylamino)butyl]pyridazin-3-one is sourced from PubChem (CID 62848545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).