formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine

C10H20N6O7 — CID 18981592

IUPACformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESC=O.CON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O6.CH2O/c1-16-13(17-2)7-10-8(14(18-3)19-4)12-9(11-7)15(20-5)21-6;1-2/h1-6H3;1H2
InChIKeyAEBPAORXHCIQOJ-UHFFFAOYSA-N
MW336.31 g/mol
LogP-0.53
Rot. Bonds9

About formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine

formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 18981592) has the molecular formula C10H20N6O7 and a molecular weight of 336.31 g/mol. Its IUPAC name is formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID18981592
Molecular FormulaC10H20N6O7
Molecular Weight336.31 g/mol
Exact Mass336.14
IUPAC Nameformaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESC=O.CON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O6.CH2O/c1-16-13(17-2)7-10-8(14(18-3)19-4)12-9(11-7)15(20-5)21-6;1-2/h1-6H3;1H2
InChIKeyAEBPAORXHCIQOJ-UHFFFAOYSA-N
XLogP-0.53
TPSA120.84 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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-hexamethoxy-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-hexamethoxy-1,3,5-triazine-2,4,6-triamine (CID 18981592) is formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-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-hexamethoxy-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-hexamethoxy-1,3,5-triazine-2,4,6-triamine is C=O.CON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1.
What is the InChIKey of formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AEBPAORXHCIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O6.CH2O/c1-16-13(17-2)7-10-8(14(18-3)19-4)12-9(11-7)15(20-5)21-6;1-2/h1-6H3;1H2.
What are the key properties of formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine?
formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 336.31 g/mol, XLogP of -0.53, 9 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-hexamethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18981592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).