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

C15H30N6O6 — CID 18369697

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCON(OCC)c1nc(N(OCC)OCC)nc(N(OCC)OCC)n1
InChIInChI=1S/C15H30N6O6/c1-7-22-19(23-8-2)13-16-14(20(24-9-3)25-10-4)18-15(17-13)21(26-11-5)27-12-6/h7-12H2,1-6H3
InChIKeyRLEBXPWQNYAXQH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.00
Rot. Bonds15

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

2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 18369697) has the molecular formula C15H30N6O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID18369697
Molecular FormulaC15H30N6O6
Molecular Weight390.44 g/mol
Exact Mass390.22
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCON(OCC)c1nc(N(OCC)OCC)nc(N(OCC)OCC)n1
InChIInChI=1S/C15H30N6O6/c1-7-22-19(23-8-2)13-16-14(20(24-9-3)25-10-4)18-15(17-13)21(26-11-5)27-12-6/h7-12H2,1-6H3
InChIKeyRLEBXPWQNYAXQH-UHFFFAOYSA-N
XLogP2.00
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 52.00
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-hexaethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine (CID 18369697) is 2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-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-hexaethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine is CCON(OCC)c1nc(N(OCC)OCC)nc(N(OCC)OCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RLEBXPWQNYAXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O6/c1-7-22-19(23-8-2)13-16-14(20(24-9-3)25-10-4)18-15(17-13)21(26-11-5)27-12-6/h7-12H2,1-6H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 390.44 g/mol, XLogP of 2.00, 15 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-hexaethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18369697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).