2-tert-butyl-5-(dimethylamino)pyridazin-3-one

C10H17N3O — CID 18918907

IUPAC2-tert-butyl-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C10H17N3O/c1-10(2,3)13-9(14)6-8(7-11-13)12(4)5/h6-7H,1-5H3
InChIKeySUTZOQYAHZHBTC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.06
Rot. Bonds1

About 2-tert-butyl-5-(dimethylamino)pyridazin-3-one

2-tert-butyl-5-(dimethylamino)pyridazin-3-one (PubChem CID 18918907) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-tert-butyl-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-5-(dimethylamino)pyridazin-3-one
PubChem CID18918907
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-tert-butyl-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C10H17N3O/c1-10(2,3)13-9(14)6-8(7-11-13)12(4)5/h6-7H,1-5H3
InChIKeySUTZOQYAHZHBTC-UHFFFAOYSA-N
XLogP1.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-5-(dimethylamino)pyridazin-3-one (CID 18918907) is 2-tert-butyl-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(C(C)(C)C)c(=O)c1.
What is the InChIKey of 2-tert-butyl-5-(dimethylamino)pyridazin-3-one?
The InChIKey is SUTZOQYAHZHBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)13-9(14)6-8(7-11-13)12(4)5/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-5-(dimethylamino)pyridazin-3-one?
2-tert-butyl-5-(dimethylamino)pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 18918907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).