sodium 8-amino-2H-phthalazin-3-ide-1,4-dione

C8H6N3NaO2 — CID 15480750

IUPACsodium 8-amino-2H-phthalazin-3-ide-1,4-dione
SMILESNc1cccc2c(=O)[n-][nH]c(=O)c12.[Na+]
InChIInChI=1S/C8H7N3O2.Na/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,(H4,9,10,11,12,13);/q;+1/p-1
InChIKeyRVJVDCVIJCBUTH-UHFFFAOYSA-M
MW199.15 g/mol
LogP-3.57
Rot. Bonds

About sodium 8-amino-2H-phthalazin-3-ide-1,4-dione

sodium 8-amino-2H-phthalazin-3-ide-1,4-dione (PubChem CID 15480750) has the molecular formula C8H6N3NaO2 and a molecular weight of 199.15 g/mol. Its IUPAC name is sodium 8-amino-2H-phthalazin-3-ide-1,4-dione.

Molecular Properties

Compound Namesodium 8-amino-2H-phthalazin-3-ide-1,4-dione
PubChem CID15480750
Molecular FormulaC8H6N3NaO2
Molecular Weight199.15 g/mol
Exact Mass199.04
IUPAC Namesodium 8-amino-2H-phthalazin-3-ide-1,4-dione
SMILESNc1cccc2c(=O)[n-][nH]c(=O)c12.[Na+]
InChIInChI=1S/C8H7N3O2.Na/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,(H4,9,10,11,12,13);/q;+1/p-1
InChIKeyRVJVDCVIJCBUTH-UHFFFAOYSA-M
XLogP-3.57
TPSA90.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 5-3.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Luminol
CID 10638
1,2,3-Benzotriazin-4-one
CID 135408793
Isoluminol
CID 95014
3,5-Diaminophthalhydrazide
CID 1616
1,4-Phthalazinedione, 2,3-dihydro-5-nitro-
CID 3525223
1,2-Dihydrocinnoline-3,4-dione
CID 2726774
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
N'-acetyl-2-aminobenzohydrazide
CID 261153
6-Amino-1,4-phthalazinediol, monhydrate
CID 459150

Frequently Asked Questions

What is the IUPAC name of sodium 8-amino-2H-phthalazin-3-ide-1,4-dione?
The IUPAC name of sodium 8-amino-2H-phthalazin-3-ide-1,4-dione (CID 15480750) is sodium 8-amino-2H-phthalazin-3-ide-1,4-dione.
What is the SMILES notation for sodium 8-amino-2H-phthalazin-3-ide-1,4-dione?
The canonical SMILES for sodium 8-amino-2H-phthalazin-3-ide-1,4-dione is Nc1cccc2c(=O)[n-][nH]c(=O)c12.[Na+].
What is the InChIKey of sodium 8-amino-2H-phthalazin-3-ide-1,4-dione?
The InChIKey is RVJVDCVIJCBUTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7N3O2.Na/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,(H4,9,10,11,12,13);/q;+1/p-1.
What are the key properties of sodium 8-amino-2H-phthalazin-3-ide-1,4-dione?
sodium 8-amino-2H-phthalazin-3-ide-1,4-dione has a molecular weight of 199.15 g/mol, XLogP of -3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-amino-2H-phthalazin-3-ide-1,4-dione is sourced from PubChem (CID 15480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).