5,7-dimethoxy-2H-phthalazin-1-one

C10H10N2O3 — CID 21138693

IUPAC5,7-dimethoxy-2H-phthalazin-1-one
SMILESCOc1cc(OC)c2cn[nH]c(=O)c2c1
InChIInChI=1S/C10H10N2O3/c1-14-6-3-7-8(9(4-6)15-2)5-11-12-10(7)13/h3-5H,1-2H3,(H,12,13)
InChIKeyCFIUCOKDVARZGF-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.94
Rot. Bonds2

About 5,7-dimethoxy-2H-phthalazin-1-one

5,7-dimethoxy-2H-phthalazin-1-one (PubChem CID 21138693) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5,7-dimethoxy-2H-phthalazin-1-one.

Molecular Properties

Compound Name5,7-dimethoxy-2H-phthalazin-1-one
PubChem CID21138693
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5,7-dimethoxy-2H-phthalazin-1-one
SMILESCOc1cc(OC)c2cn[nH]c(=O)c2c1
InChIInChI=1S/C10H10N2O3/c1-14-6-3-7-8(9(4-6)15-2)5-11-12-10(7)13/h3-5H,1-2H3,(H,12,13)
InChIKeyCFIUCOKDVARZGF-UHFFFAOYSA-N
XLogP0.94
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2H-phthalazin-1-one?
The IUPAC name of 5,7-dimethoxy-2H-phthalazin-1-one (CID 21138693) is 5,7-dimethoxy-2H-phthalazin-1-one.
What is the SMILES notation for 5,7-dimethoxy-2H-phthalazin-1-one?
The canonical SMILES for 5,7-dimethoxy-2H-phthalazin-1-one is COc1cc(OC)c2cn[nH]c(=O)c2c1.
What is the InChIKey of 5,7-dimethoxy-2H-phthalazin-1-one?
The InChIKey is CFIUCOKDVARZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-6-3-7-8(9(4-6)15-2)5-11-12-10(7)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5,7-dimethoxy-2H-phthalazin-1-one?
5,7-dimethoxy-2H-phthalazin-1-one has a molecular weight of 206.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2H-phthalazin-1-one is sourced from PubChem (CID 21138693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).