[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol

C10H20N6O6 — CID 54307076

IUPAC[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol
SMILESCOC(O)N(C)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O6/c1-14(10(17)18-2)7-11-8(15(19-3)20-4)13-9(12-7)16(21-5)22-6/h10,17H,1-6H3
InChIKeySIGRLMRVKQQMMU-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.91
Rot. Bonds9

About [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol

[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol (PubChem CID 54307076) has the molecular formula C10H20N6O6 and a molecular weight of 320.31 g/mol. Its IUPAC name is [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol.

Molecular Properties

Compound Name[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol
PubChem CID54307076
Molecular FormulaC10H20N6O6
Molecular Weight320.31 g/mol
Exact Mass320.14
IUPAC Name[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol
SMILESCOC(O)N(C)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O6/c1-14(10(17)18-2)7-11-8(15(19-3)20-4)13-9(12-7)16(21-5)22-6/h10,17H,1-6H3
InChIKeySIGRLMRVKQQMMU-UHFFFAOYSA-N
XLogP-0.91
TPSA114.77 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol?
The IUPAC name of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol (CID 54307076) is [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol.
What is the SMILES notation for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol?
The canonical SMILES for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol is COC(O)N(C)c1nc(N(OC)OC)nc(N(OC)OC)n1.
What is the InChIKey of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol?
The InChIKey is SIGRLMRVKQQMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O6/c1-14(10(17)18-2)7-11-8(15(19-3)20-4)13-9(12-7)16(21-5)22-6/h10,17H,1-6H3.
What are the key properties of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol?
[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol has a molecular weight of 320.31 g/mol, XLogP of -0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol is sourced from PubChem (CID 54307076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).