2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine

C9H18N6O6 — CID 18981593

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O6/c1-16-13(17-2)7-10-8(14(18-3)19-4)12-9(11-7)15(20-5)21-6/h1-6H3
InChIKeyXGJZQNMUVTZITK-UHFFFAOYSA-N
MW306.28 g/mol
LogP-0.34
Rot. Bonds9

About 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 18981593) has the molecular formula C9H18N6O6 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID18981593
Molecular FormulaC9H18N6O6
Molecular Weight306.28 g/mol
Exact Mass306.13
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O6/c1-16-13(17-2)7-10-8(14(18-3)19-4)12-9(11-7)15(20-5)21-6/h1-6H3
InChIKeyXGJZQNMUVTZITK-UHFFFAOYSA-N
XLogP-0.34
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine (CID 18981593) is 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine is CON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XGJZQNMUVTZITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O6/c1-16-13(17-2)7-10-8(14(18-3)19-4)12-9(11-7)15(20-5)21-6/h1-6H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.28 g/mol, XLogP of -0.34, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18981593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).