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

C8H8ClN3O2 — CID 24802270

IUPAC5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride
SMILESCl.Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C8H7N3O2.ClH/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,9H2,(H,10,12)(H,11,13);1H
InChIKeySCHUENIUEDOXQS-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.22
Rot. Bonds

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

5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride (PubChem CID 24802270) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride.

Molecular Properties

Compound Name5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride
PubChem CID24802270
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride
SMILESCl.Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C8H7N3O2.ClH/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,9H2,(H,10,12)(H,11,13);1H
InChIKeySCHUENIUEDOXQS-UHFFFAOYSA-N
XLogP0.22
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride?
The IUPAC name of 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride (CID 24802270) is 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride.
What is the SMILES notation for 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride?
The canonical SMILES for 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride is Cl.Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride?
The InChIKey is SCHUENIUEDOXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,9H2,(H,10,12)(H,11,13);1H.
What are the key properties of 5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride?
5-amino-2,3-dihydrophthalazine-1,4-dione;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of 0.22, 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;hydrochloride is sourced from PubChem (CID 24802270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).