2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C13H26N6O5 — CID 18785363

IUPAC2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCNc1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C13H26N6O5/c1-20-6-14-11-15-12(18(7-21-2)8-22-3)17-13(16-11)19(9-23-4)10-24-5/h6-10H2,1-5H3,(H,14,15,16,17)
InChIKeyLEVZZYOVVQKGOM-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.08
Rot. Bonds13

About 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18785363) has the molecular formula C13H26N6O5 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID18785363
Molecular FormulaC13H26N6O5
Molecular Weight346.39 g/mol
Exact Mass346.20
IUPAC Name2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCNc1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C13H26N6O5/c1-20-6-14-11-15-12(18(7-21-2)8-22-3)17-13(16-11)19(9-23-4)10-24-5/h6-10H2,1-5H3,(H,14,15,16,17)
InChIKeyLEVZZYOVVQKGOM-UHFFFAOYSA-N
XLogP-0.08
TPSA103.33 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 18785363) is 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is COCNc1nc(N(COC)COC)nc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LEVZZYOVVQKGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O5/c1-20-6-14-11-15-12(18(7-21-2)8-22-3)17-13(16-11)19(9-23-4)10-24-5/h6-10H2,1-5H3,(H,14,15,16,17).
What are the key properties of 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 346.39 g/mol, XLogP of -0.08, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18785363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).