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

C7H14N6O2 — CID 19596820

IUPAC2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O2/c1-14-3-13(4-15-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyZZQSSGSSJLWADI-UHFFFAOYSA-N
MW214.23 g/mol
LogP-0.95
Rot. Bonds5

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

2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19596820) has the molecular formula C7H14N6O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19596820
Molecular FormulaC7H14N6O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O2/c1-14-3-13(4-15-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyZZQSSGSSJLWADI-UHFFFAOYSA-N
XLogP-0.95
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19596820) is 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is COCN(COC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZZQSSGSSJLWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O2/c1-14-3-13(4-15-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H4,8,9,10,11,12).
What are the key properties of 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 214.23 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19596820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).