5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one

C10H16N2O2 — CID 91249120

IUPAC5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one
SMILESCOc1c(C(C)C)nn(C)c(=O)c1C
InChIInChI=1S/C10H16N2O2/c1-6(2)8-9(14-5)7(3)10(13)12(4)11-8/h6H,1-5H3
InChIKeyUXQBXFQJKMHELY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.22
Rot. Bonds2

About 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one

5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one (PubChem CID 91249120) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one
PubChem CID91249120
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one
SMILESCOc1c(C(C)C)nn(C)c(=O)c1C
InChIInChI=1S/C10H16N2O2/c1-6(2)8-9(14-5)7(3)10(13)12(4)11-8/h6H,1-5H3
InChIKeyUXQBXFQJKMHELY-UHFFFAOYSA-N
XLogP1.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-2,4,6-trimethylpyridazin-3-one
CID 91328413
2-Ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one
CID 164914096

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one (CID 91249120) is 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one is COc1c(C(C)C)nn(C)c(=O)c1C.
What is the InChIKey of 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one?
The InChIKey is UXQBXFQJKMHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)8-9(14-5)7(3)10(13)12(4)11-8/h6H,1-5H3.
What are the key properties of 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one?
5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 91249120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).