2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one

C14H24N2O — CID 164786425

IUPAC2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1cnn(C(C)(C)C)c(=O)c1C(C)C
InChIInChI=1S/C14H24N2O/c1-9(2)11-8-15-16(14(5,6)7)13(17)12(11)10(3)4/h8-10H,1-7H3
InChIKeyNOHYZDBNZHETCQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.25
Rot. Bonds2

About 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one

2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one (PubChem CID 164786425) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one
PubChem CID164786425
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1cnn(C(C)(C)C)c(=O)c1C(C)C
InChIInChI=1S/C14H24N2O/c1-9(2)11-8-15-16(14(5,6)7)13(17)12(11)10(3)4/h8-10H,1-7H3
InChIKeyNOHYZDBNZHETCQ-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one (CID 164786425) is 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one is CC(C)c1cnn(C(C)(C)C)c(=O)c1C(C)C.
What is the InChIKey of 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one?
The InChIKey is NOHYZDBNZHETCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)11-8-15-16(14(5,6)7)13(17)12(11)10(3)4/h8-10H,1-7H3.
What are the key properties of 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one?
2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one has a molecular weight of 236.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one is sourced from PubChem (CID 164786425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).