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

C10H20N6O7 — CID 54286124

IUPAC[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol
SMILESCOC(O)N(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O7/c1-18-10(17)14(19-2)7-11-8(15(20-3)21-4)13-9(12-7)16(22-5)23-6/h10,17H,1-6H3
InChIKeyRUFLWOHALZZKJT-UHFFFAOYSA-N
MW336.31 g/mol
LogP-0.98
Rot. Bonds10

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

[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol (PubChem CID 54286124) has the molecular formula C10H20N6O7 and a molecular weight of 336.31 g/mol. Its IUPAC name is [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol.

Molecular Properties

Compound Name[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol
PubChem CID54286124
Molecular FormulaC10H20N6O7
Molecular Weight336.31 g/mol
Exact Mass336.14
IUPAC Name[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol
SMILESCOC(O)N(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O7/c1-18-10(17)14(19-2)7-11-8(15(20-3)21-4)13-9(12-7)16(22-5)23-6/h10,17H,1-6H3
InChIKeyRUFLWOHALZZKJT-UHFFFAOYSA-N
XLogP-0.98
TPSA124.00 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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]-methoxyamino]-methoxymethanol?
The IUPAC name of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol (CID 54286124) is [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol.
What is the SMILES notation for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol?
The canonical SMILES for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol is COC(O)N(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1.
What is the InChIKey of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol?
The InChIKey is RUFLWOHALZZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O7/c1-18-10(17)14(19-2)7-11-8(15(20-3)21-4)13-9(12-7)16(22-5)23-6/h10,17H,1-6H3.
What are the key properties of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol?
[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol has a molecular weight of 336.31 g/mol, XLogP of -0.98, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol is sourced from PubChem (CID 54286124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).