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

C11H22N6O4 — CID 18785360

IUPAC2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCNc1nc(NCOC)nc(N(COC)COC)n1
InChIInChI=1S/C11H22N6O4/c1-18-5-12-9-14-10(13-6-19-2)16-11(15-9)17(7-20-3)8-21-4/h5-8H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyFLYHFZHMELHCRY-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.08
Rot. Bonds11

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

2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18785360) has the molecular formula C11H22N6O4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID18785360
Molecular FormulaC11H22N6O4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCNc1nc(NCOC)nc(N(COC)COC)n1
InChIInChI=1S/C11H22N6O4/c1-18-5-12-9-14-10(13-6-19-2)16-11(15-9)17(7-20-3)8-21-4/h5-8H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyFLYHFZHMELHCRY-UHFFFAOYSA-N
XLogP-0.08
TPSA102.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 18785360) is 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is COCNc1nc(NCOC)nc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FLYHFZHMELHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O4/c1-18-5-12-9-14-10(13-6-19-2)16-11(15-9)17(7-20-3)8-21-4/h5-8H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 302.34 g/mol, XLogP of -0.08, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18785360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).