silver 4-oxo-3H-phthalazin-1-olate

C8H5AgN2O2 — CID 90482828

IUPACsilver 4-oxo-3H-phthalazin-1-olate
SMILESO=c1[nH]nc([O-])c2ccccc12.[Ag+]
InChIInChI=1S/C8H6N2O2.Ag/c11-7-5-3-1-2-4-6(5)8(12)10-9-7;/h1-4H,(H,9,11)(H,10,12);/q;+1/p-1
InChIKeyPDWNNQWZPDESAH-UHFFFAOYSA-M
MW269.01 g/mol
LogP-0.01
Rot. Bonds

About silver 4-oxo-3H-phthalazin-1-olate

silver 4-oxo-3H-phthalazin-1-olate (PubChem CID 90482828) has the molecular formula C8H5AgN2O2 and a molecular weight of 269.01 g/mol. Its IUPAC name is silver 4-oxo-3H-phthalazin-1-olate.

Molecular Properties

Compound Namesilver 4-oxo-3H-phthalazin-1-olate
PubChem CID90482828
Molecular FormulaC8H5AgN2O2
Molecular Weight269.01 g/mol
Exact Mass267.94
IUPAC Namesilver 4-oxo-3H-phthalazin-1-olate
SMILESO=c1[nH]nc([O-])c2ccccc12.[Ag+]
InChIInChI=1S/C8H6N2O2.Ag/c11-7-5-3-1-2-4-6(5)8(12)10-9-7;/h1-4H,(H,9,11)(H,10,12);/q;+1/p-1
InChIKeyPDWNNQWZPDESAH-UHFFFAOYSA-M
XLogP-0.01
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.01
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-cyclopentyl-2H-phthalazin-1-one
CID 852172
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221
4-(3,5-dichlorophenyl)-2H-phthalazin-1-one
CID 2824608
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-(2,5-dibromophenyl)-2H-phthalazin-1-one
CID 28901921
4-[bromo(chloro)methyl]-2H-phthalazin-1-one
CID 119091075
4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
CID 121012576
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276
4-(4-aminocyclohexyl)-2H-phthalazin-1-one
CID 134286363
4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride
CID 157040138

Frequently Asked Questions

What is the IUPAC name of silver 4-oxo-3H-phthalazin-1-olate?
The IUPAC name of silver 4-oxo-3H-phthalazin-1-olate (CID 90482828) is silver 4-oxo-3H-phthalazin-1-olate.
What is the SMILES notation for silver 4-oxo-3H-phthalazin-1-olate?
The canonical SMILES for silver 4-oxo-3H-phthalazin-1-olate is O=c1[nH]nc([O-])c2ccccc12.[Ag+].
What is the InChIKey of silver 4-oxo-3H-phthalazin-1-olate?
The InChIKey is PDWNNQWZPDESAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6N2O2.Ag/c11-7-5-3-1-2-4-6(5)8(12)10-9-7;/h1-4H,(H,9,11)(H,10,12);/q;+1/p-1.
What are the key properties of silver 4-oxo-3H-phthalazin-1-olate?
silver 4-oxo-3H-phthalazin-1-olate has a molecular weight of 269.01 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver 4-oxo-3H-phthalazin-1-olate is sourced from PubChem (CID 90482828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).