2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine

C12H24N6O6 — CID 19020903

IUPAC2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC
InChIInChI=1S/C12H24N6O6/c1-19-10(20-2)16-7-13-8(17-11(21-3)22-4)15-9(14-7)18-12(23-5)24-6/h10-12H,1-6H3,(H3,13,14,15,16,17,18)
InChIKeySHLOOFPNCHEUCJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP-0.16
Rot. Bonds12

About 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19020903) has the molecular formula C12H24N6O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19020903
Molecular FormulaC12H24N6O6
Molecular Weight348.36 g/mol
Exact Mass348.18
IUPAC Name2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC
InChIInChI=1S/C12H24N6O6/c1-19-10(20-2)16-7-13-8(17-11(21-3)22-4)15-9(14-7)18-12(23-5)24-6/h10-12H,1-6H3,(H3,13,14,15,16,17,18)
InChIKeySHLOOFPNCHEUCJ-UHFFFAOYSA-N
XLogP-0.16
TPSA130.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19020903) is 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine is COC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC.
What is the InChIKey of 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SHLOOFPNCHEUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O6/c1-19-10(20-2)16-7-13-8(17-11(21-3)22-4)15-9(14-7)18-12(23-5)24-6/h10-12H,1-6H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 348.36 g/mol, XLogP of -0.16, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19020903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).