6-methyl-2,4-di(propan-2-yl)pyridazin-3-one

C11H18N2O — CID 15054347

IUPAC6-methyl-2,4-di(propan-2-yl)pyridazin-3-one
SMILESCc1cc(C(C)C)c(=O)n(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7(2)10-6-9(5)12-13(8(3)4)11(10)14/h6-8H,1-5H3
InChIKeyQHOLHVOCVWPEDS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds2

About 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one

6-methyl-2,4-di(propan-2-yl)pyridazin-3-one (PubChem CID 15054347) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2,4-di(propan-2-yl)pyridazin-3-one
PubChem CID15054347
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-methyl-2,4-di(propan-2-yl)pyridazin-3-one
SMILESCc1cc(C(C)C)c(=O)n(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7(2)10-6-9(5)12-13(8(3)4)11(10)14/h6-8H,1-5H3
InChIKeyQHOLHVOCVWPEDS-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one?
The IUPAC name of 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one (CID 15054347) is 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one is Cc1cc(C(C)C)c(=O)n(C(C)C)n1.
What is the InChIKey of 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one?
The InChIKey is QHOLHVOCVWPEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)10-6-9(5)12-13(8(3)4)11(10)14/h6-8H,1-5H3.
What are the key properties of 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one?
6-methyl-2,4-di(propan-2-yl)pyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-di(propan-2-yl)pyridazin-3-one is sourced from PubChem (CID 15054347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).