5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione

C12H14N2O4 — CID 10060652

IUPAC5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione
SMILESCOc1ccc(OC)c2c(=O)n(C)n(C)c(=O)c12
InChIInChI=1S/C12H14N2O4/c1-13-11(15)9-7(17-3)5-6-8(18-4)10(9)12(16)14(13)2/h5-6H,1-4H3
InChIKeyVLZZTKGXMKJJHC-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.25
Rot. Bonds2

About 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione

5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione (PubChem CID 10060652) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione.

Molecular Properties

Compound Name5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione
PubChem CID10060652
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione
SMILESCOc1ccc(OC)c2c(=O)n(C)n(C)c(=O)c12
InChIInChI=1S/C12H14N2O4/c1-13-11(15)9-7(17-3)5-6-8(18-4)10(9)12(16)14(13)2/h5-6H,1-4H3
InChIKeyVLZZTKGXMKJJHC-UHFFFAOYSA-N
XLogP0.25
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione?
The IUPAC name of 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione (CID 10060652) is 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione.
What is the SMILES notation for 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione?
The canonical SMILES for 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione is COc1ccc(OC)c2c(=O)n(C)n(C)c(=O)c12.
What is the InChIKey of 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione?
The InChIKey is VLZZTKGXMKJJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-11(15)9-7(17-3)5-6-8(18-4)10(9)12(16)14(13)2/h5-6H,1-4H3.
What are the key properties of 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione?
5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione is sourced from PubChem (CID 10060652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).