5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione

C10H11N3O2 — CID 10081667

IUPAC5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCN(C)c1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C10H11N3O2/c1-13(2)7-5-3-4-6-8(7)10(15)12-11-9(6)14/h3-5H,1-2H3,(H,11,14)(H,12,15)
InChIKeyVADOZAQQRPYARO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.28
Rot. Bonds1

About 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione

5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 10081667) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione
PubChem CID10081667
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCN(C)c1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C10H11N3O2/c1-13(2)7-5-3-4-6-8(7)10(15)12-11-9(6)14/h3-5H,1-2H3,(H,11,14)(H,12,15)
InChIKeyVADOZAQQRPYARO-UHFFFAOYSA-N
XLogP0.28
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione (CID 10081667) is 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione is CN(C)c1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is VADOZAQQRPYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13(2)7-5-3-4-6-8(7)10(15)12-11-9(6)14/h3-5H,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione?
5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 10081667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).