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

C17H36N8O8 — CID 6455508

IUPACformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.NC(N)=O
InChIInChI=1S/C15H30N6O6.CH4N2O.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;2-1(3)4;1-2/h7-12H2,1-6H3;(H4,2,3,4);1H2
InChIKeyCSBHGHDLVBNJSK-UHFFFAOYSA-N
MW480.52 g/mol
LogP-1.25
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;urea

formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 6455508) has the molecular formula C17H36N8O8 and a molecular weight of 480.52 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;urea.

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;urea
PubChem CID6455508
Molecular FormulaC17H36N8O8
Molecular Weight480.52 g/mol
Exact Mass480.27
IUPAC Nameformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.NC(N)=O
InChIInChI=1S/C15H30N6O6.CH4N2O.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;2-1(3)4;1-2/h7-12H2,1-6H3;(H4,2,3,4);1H2
InChIKeyCSBHGHDLVBNJSK-UHFFFAOYSA-N
XLogP-1.25
TPSA189.95 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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;urea?
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;urea (CID 6455508) is formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;urea.
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;urea?
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;urea is C=O.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.NC(N)=O.
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;urea?
The InChIKey is CSBHGHDLVBNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O6.CH4N2O.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;2-1(3)4;1-2/h7-12H2,1-6H3;(H4,2,3,4);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;urea?
formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 480.52 g/mol, XLogP of -1.25, 15 rotatable bonds, 2 hydrogen bond donors, and 14 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;urea is sourced from PubChem (CID 6455508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).