2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one

C10H16ClN3O — CID 18918858

IUPAC2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(C(C)(C)C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)14-9(15)8(11)7(6-12-14)13(4)5/h6H,1-5H3
InChIKeyVMOLYJHTUODGPD-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.72
Rot. Bonds1

About 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one

2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one (PubChem CID 18918858) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one
PubChem CID18918858
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(C(C)(C)C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)14-9(15)8(11)7(6-12-14)13(4)5/h6H,1-5H3
InChIKeyVMOLYJHTUODGPD-UHFFFAOYSA-N
XLogP1.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one (CID 18918858) is 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(C(C)(C)C)c(=O)c1Cl.
What is the InChIKey of 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one?
The InChIKey is VMOLYJHTUODGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-10(2,3)14-9(15)8(11)7(6-12-14)13(4)5/h6H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one?
2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one has a molecular weight of 229.71 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 18918858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).