1,4-dimethoxyphthalazine

C10H10N2O2 — CID 605292

IUPAC1,4-dimethoxyphthalazine
SMILESCOc1nnc(OC)c2ccccc12
InChIInChI=1S/C10H10N2O2/c1-13-9-7-5-3-4-6-8(7)10(14-2)12-11-9/h3-6H,1-2H3
InChIKeyXHZOHQFFKAOCSU-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.65
Rot. Bonds2

About 1,4-dimethoxyphthalazine

1,4-dimethoxyphthalazine (PubChem CID 605292) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,4-dimethoxyphthalazine.

Molecular Properties

Compound Name1,4-dimethoxyphthalazine
PubChem CID605292
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1,4-dimethoxyphthalazine
SMILESCOc1nnc(OC)c2ccccc12
InChIInChI=1S/C10H10N2O2/c1-13-9-7-5-3-4-6-8(7)10(14-2)12-11-9/h3-6H,1-2H3
InChIKeyXHZOHQFFKAOCSU-UHFFFAOYSA-N
XLogP1.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxyphthalazine?
The IUPAC name of 1,4-dimethoxyphthalazine (CID 605292) is 1,4-dimethoxyphthalazine.
What is the SMILES notation for 1,4-dimethoxyphthalazine?
The canonical SMILES for 1,4-dimethoxyphthalazine is COc1nnc(OC)c2ccccc12.
What is the InChIKey of 1,4-dimethoxyphthalazine?
The InChIKey is XHZOHQFFKAOCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-9-7-5-3-4-6-8(7)10(14-2)12-11-9/h3-6H,1-2H3.
What are the key properties of 1,4-dimethoxyphthalazine?
1,4-dimethoxyphthalazine has a molecular weight of 190.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxyphthalazine is sourced from PubChem (CID 605292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).