formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C16H32N6O7 — CID 19019604

IUPACformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=O.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C15H30N6O6.CH2O/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-2/h7-12H2,1-6H3;1H2
InChIKeyZHHQCIKGJKDLBS-UHFFFAOYSA-N
MW420.47 g/mol
LogP-0.27
Rot. Bonds15

About formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19019604) has the molecular formula C16H32N6O7 and a molecular weight of 420.47 g/mol. Its IUPAC name is formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19019604
Molecular FormulaC16H32N6O7
Molecular Weight420.47 g/mol
Exact Mass420.23
IUPAC Nameformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=O.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C15H30N6O6.CH2O/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-2/h7-12H2,1-6H3;1H2
InChIKeyZHHQCIKGJKDLBS-UHFFFAOYSA-N
XLogP-0.27
TPSA120.84 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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 formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19019604) is formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=O.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.
What is the InChIKey of formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZHHQCIKGJKDLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O6.CH2O/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-2/h7-12H2,1-6H3;1H2.
What are the key properties of formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 420.47 g/mol, XLogP of -0.27, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19019604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).