magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride

C5H6MgN4O3 — CID 173069750

IUPACmagnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride
SMILESO=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H4N4O3.Mg.2H/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;;/h(H4,6,7,8,9,10,11,12);;;/q;+2;2*-1
InChIKeyNQFAPDQGJIKOHS-UHFFFAOYSA-N
MW194.43 g/mol
LogP-1.92
Rot. Bonds

About magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride

magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride (PubChem CID 173069750) has the molecular formula C5H6MgN4O3 and a molecular weight of 194.43 g/mol. Its IUPAC name is magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride.

Molecular Properties

Compound Namemagnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride
PubChem CID173069750
Molecular FormulaC5H6MgN4O3
Molecular Weight194.43 g/mol
Exact Mass194.03
IUPAC Namemagnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride
SMILESO=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H4N4O3.Mg.2H/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;;/h(H4,6,7,8,9,10,11,12);;;/q;+2;2*-1
InChIKeyNQFAPDQGJIKOHS-UHFFFAOYSA-N
XLogP-1.92
TPSA114.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.43
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

CID 174946590
CID 174946590
7,9-dihydro-3H-purine-2,6,8-trione;trihydrate
CID 172860093
CID 158075448
CID 158075448
1,1'-biphenyl;7,9-dihydro-3H-purine-2,6,8-trione
CID 174945142
7,9-dihydro-3H-purine-2,6,8-trione;7,9-dihydro-3H-purine-2,6,8-trione
CID 159877837
2-aminoethane-1,1,1-triol;7,9-dihydro-3H-purine-2,6,8-trione
CID 175081587
7,9-dihydro-3H-purine-2,6,8-trione;diphenylmethanone
CID 159655980
acridine;7,9-dihydro-3H-purine-2,6,8-trione
CID 174745524
7,9-dihydro-3H-purine-2,6,8-trione;(2,4,6-trioxo-1,3-diazinan-5-yl)urea
CID 159838887
7,9-dihydro-3H-purine-2,6,8-trione;1,3,7-trimethylpurine-2,6-dione
CID 90404483
sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate
CID 174706584
calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc
CID 174782538

Frequently Asked Questions

What is the IUPAC name of magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride?
The IUPAC name of magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride (CID 173069750) is magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride.
What is the SMILES notation for magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride?
The canonical SMILES for magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride is O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride?
The InChIKey is NQFAPDQGJIKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O3.Mg.2H/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;;/h(H4,6,7,8,9,10,11,12);;;/q;+2;2*-1.
What are the key properties of magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride?
magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride has a molecular weight of 194.43 g/mol, XLogP of -1.92, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride is sourced from PubChem (CID 173069750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).