sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine

C7H15N6NaO4 — CID 23679923

IUPACsodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine
SMILESCOC(=O)OC.C[O-].Nc1nc(N)nc(N)n1.[Na+]
InChIInChI=1S/C3H6N6.C3H6O3.CH3O.Na/c4-1-7-2(5)9-3(6)8-1;1-5-3(4)6-2;1-2;/h(H6,4,5,6,7,8,9);1-2H3;1H3;/q;;-1;+1
InChIKeyITIQCGVMCYAIDL-UHFFFAOYSA-N
MW270.22 g/mol
LogP-5.00
Rot. Bonds

About sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine

sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine (PubChem CID 23679923) has the molecular formula C7H15N6NaO4 and a molecular weight of 270.22 g/mol. Its IUPAC name is sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namesodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine
PubChem CID23679923
Molecular FormulaC7H15N6NaO4
Molecular Weight270.22 g/mol
Exact Mass270.11
IUPAC Namesodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine
SMILESCOC(=O)OC.C[O-].Nc1nc(N)nc(N)n1.[Na+]
InChIInChI=1S/C3H6N6.C3H6O3.CH3O.Na/c4-1-7-2(5)9-3(6)8-1;1-5-3(4)6-2;1-2;/h(H6,4,5,6,7,8,9);1-2H3;1H3;/q;;-1;+1
InChIKeyITIQCGVMCYAIDL-UHFFFAOYSA-N
XLogP-5.00
TPSA175.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-5.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

Trimethoxymethylmelamine
CID 21189409
Methyl (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803256
2-N-[dimethoxy(methylperoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 53811375
Dimethoxymethane;1,3,5-triazine-2,4,6-triamine
CID 66956177
1,3,5-Triazine-2,4,6-triamine;trimethoxymethanol
CID 87566011
methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate
CID 118914027
Tetramethoxymethane;1,3,5-triazine-2,4,6-triamine
CID 135335666
1,3,5-Triazine-2,4,6-triamine;trimethoxymethane
CID 135335672
methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 141066651
Carboxy hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
CID 160707790
Methoxymethanetriol;1,3,5-triazine-2,4,6-triamine
CID 174614470
Ethyl methyl carbonate;1,3,5-triazine-2,4,6-triamine
CID 174624969

Frequently Asked Questions

What is the IUPAC name of sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine (CID 23679923) is sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine is COC(=O)OC.C[O-].Nc1nc(N)nc(N)n1.[Na+].
What is the InChIKey of sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is ITIQCGVMCYAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H6O3.CH3O.Na/c4-1-7-2(5)9-3(6)8-1;1-5-3(4)6-2;1-2;/h(H6,4,5,6,7,8,9);1-2H3;1H3;/q;;-1;+1.
What are the key properties of sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine?
sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 270.22 g/mol, XLogP of -5.00, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23679923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).