calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc

C3H5CaN3O3Zn — CID 174782538

IUPACcalcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Ca+2].[H-].[H-].[Zn]
InChIInChI=1S/C3H3N3O3.Ca.Zn.2H/c7-1-4-2(8)6-3(9)5-1;;;;/h(H3,4,5,6,7,8,9);;;;/q;+2;;2*-1
InChIKeyVDXZIOXMEMPQMV-UHFFFAOYSA-N
MW236.56 g/mol
LogP-2.41
Rot. Bonds

About calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc

calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc (PubChem CID 174782538) has the molecular formula C3H5CaN3O3Zn and a molecular weight of 236.56 g/mol. Its IUPAC name is calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc.

Molecular Properties

Compound Namecalcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc
PubChem CID174782538
Molecular FormulaC3H5CaN3O3Zn
Molecular Weight236.56 g/mol
Exact Mass234.92
IUPAC Namecalcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Ca+2].[H-].[H-].[Zn]
InChIInChI=1S/C3H3N3O3.Ca.Zn.2H/c7-1-4-2(8)6-3(9)5-1;;;;/h(H3,4,5,6,7,8,9);;;;/q;+2;;2*-1
InChIKeyVDXZIOXMEMPQMV-UHFFFAOYSA-N
XLogP-2.41
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.56
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate
CID 174706584
selane;1,3,5-triazinane-2,4,6-trione
CID 174566623
CID 70452597
CID 70452597
sodium 1,3,5-triazinane-2,4,6-trione
CID 23617829
CID 70149619
CID 70149619
CID 24848861
CID 24848861
tris(1,3,5-triazinane-2,4,6-trione);trihydrochloride
CID 66629355
ethene;1,3,5-triazinane-2,4,6-trione
CID 174213756
CID 67893681
CID 67893681
nitric acid;1,3,5-triazinane-2,4,6-trione
CID 174998101
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride
CID 173069750

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc?
The IUPAC name of calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc (CID 174782538) is calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc.
What is the SMILES notation for calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc?
The canonical SMILES for calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Ca+2].[H-].[H-].[Zn].
What is the InChIKey of calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc?
The InChIKey is VDXZIOXMEMPQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.Ca.Zn.2H/c7-1-4-2(8)6-3(9)5-1;;;;/h(H3,4,5,6,7,8,9);;;;/q;+2;;2*-1.
What are the key properties of calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc?
calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc has a molecular weight of 236.56 g/mol, XLogP of -2.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc is sourced from PubChem (CID 174782538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).