5-amino-2,3-dihydrophthalazine-1,4-dione

C8H7N3O2 — CID 10638

IUPAC5-amino-2,3-dihydrophthalazine-1,4-dione
SMILESNc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)
InChIKeyHWYHZTIRURJOHG-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.20
Rot. Bonds

About 5-amino-2,3-dihydrophthalazine-1,4-dione

5-amino-2,3-dihydrophthalazine-1,4-dione (PubChem CID 10638) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-amino-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-amino-2,3-dihydrophthalazine-1,4-dione
PubChem CID10638
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-amino-2,3-dihydrophthalazine-1,4-dione
SMILESNc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)
InChIKeyHWYHZTIRURJOHG-UHFFFAOYSA-N
XLogP-0.20
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,2,3-Benzotriazin-4-one
CID 135408793
Isoluminol
CID 95014
Benzoic acid, 2-amino-, hydrazide
CID 94728
3,5-Diaminophthalhydrazide
CID 1616
Sodium luminolate
CID 15480750
1,4-Phthalazinedione, 2,3-dihydro-5-nitro-
CID 3525223
1,2-Dihydrocinnoline-3,4-dione
CID 2726774
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide
CID 803313
N-(1,4-dioxo-1,2,3,4-tetrahydro-5-phthalazinyl)benzenesulfonamide
CID 1264790
6-Amino-2,3-dihydro-benzo[g]phthalazine-1,4-dione
CID 15642148
1-(2-Aminobenzoyl)-2-benzoylhydrazine
CID 4550515
5-Amino-2,3-dihydrophthalazine-1,4-dione--hydrogen chloride (1/1)
CID 24802270

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-amino-2,3-dihydrophthalazine-1,4-dione (CID 10638) is 5-amino-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-amino-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-amino-2,3-dihydrophthalazine-1,4-dione is Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 5-amino-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is HWYHZTIRURJOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13).
What are the key properties of 5-amino-2,3-dihydrophthalazine-1,4-dione?
5-amino-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 177.16 g/mol, XLogP of -0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 10638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).