5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one

C12H22N2O — CID 59319504

IUPAC5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one
SMILESCC(C)C1=C(C(C)(C)C)C(=O)NN(C)C1
InChIInChI=1S/C12H22N2O/c1-8(2)9-7-14(6)13-11(15)10(9)12(3,4)5/h8H,7H2,1-6H3,(H,13,15)
InChIKeyJYVKVEBKVIIWGY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.96
Rot. Bonds1

About 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one

5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one (PubChem CID 59319504) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one
PubChem CID59319504
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one
SMILESCC(C)C1=C(C(C)(C)C)C(=O)NN(C)C1
InChIInChI=1S/C12H22N2O/c1-8(2)9-7-14(6)13-11(15)10(9)12(3,4)5/h8H,7H2,1-6H3,(H,13,15)
InChIKeyJYVKVEBKVIIWGY-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one?
The IUPAC name of 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one (CID 59319504) is 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one.
What is the SMILES notation for 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one?
The canonical SMILES for 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one is CC(C)C1=C(C(C)(C)C)C(=O)NN(C)C1.
What is the InChIKey of 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one?
The InChIKey is JYVKVEBKVIIWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(2)9-7-14(6)13-11(15)10(9)12(3,4)5/h8H,7H2,1-6H3,(H,13,15).
What are the key properties of 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one?
5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one has a molecular weight of 210.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one is sourced from PubChem (CID 59319504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).