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

C11H18N2O2 — CID 67478014

IUPAC6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one
SMILESCOc1cc(C(C)C)c(=O)n(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-7(2)9-6-10(15-5)12-13(8(3)4)11(9)14/h6-8H,1-5H3
InChIKeyOQJVSMUBCPFFFC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.96
Rot. Bonds3

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

6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one (PubChem CID 67478014) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one
PubChem CID67478014
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one
SMILESCOc1cc(C(C)C)c(=O)n(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-7(2)9-6-10(15-5)12-13(8(3)4)11(9)14/h6-8H,1-5H3
InChIKeyOQJVSMUBCPFFFC-UHFFFAOYSA-N
XLogP1.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one (CID 67478014) is 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one is COc1cc(C(C)C)c(=O)n(C(C)C)n1.
What is the InChIKey of 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one?
The InChIKey is OQJVSMUBCPFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)9-6-10(15-5)12-13(8(3)4)11(9)14/h6-8H,1-5H3.
What are the key properties of 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one?
6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-di(propan-2-yl)pyridazin-3-one is sourced from PubChem (CID 67478014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).