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

C9H18N6O6 — CID 19805193

IUPAC[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
SMILESCON(CO)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O6/c1-17-13(6-16)7-10-8(14(18-2)19-3)12-9(11-7)15(20-4)21-5/h16H,6H2,1-5H3
InChIKeyBOGPQKRGMIVEMJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP-0.95
Rot. Bonds9

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

[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol (PubChem CID 19805193) has the molecular formula C9H18N6O6 and a molecular weight of 306.28 g/mol. Its IUPAC name is [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol.

Molecular Properties

Compound Name[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
PubChem CID19805193
Molecular FormulaC9H18N6O6
Molecular Weight306.28 g/mol
Exact Mass306.13
IUPAC Name[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
SMILESCON(CO)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O6/c1-17-13(6-16)7-10-8(14(18-2)19-3)12-9(11-7)15(20-4)21-5/h16H,6H2,1-5H3
InChIKeyBOGPQKRGMIVEMJ-UHFFFAOYSA-N
XLogP-0.95
TPSA114.77 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.28
LogP ≤ 5-0.95
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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Related Compounds

Hexamethylolmelamine
CID 62361
Trimelamol
CID 92368
((4,6-Bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methanol
CID 83757
Hmmm TP363
CID 20318181
Hmmm TP311
CID 20463987
Hmmm TP349
CID 20484942
1-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)methylamino)methanol
CID 152134
2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine
CID 379202
Methanol, 1,1',1'',1''',1'''',1'''''-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexakis-, trimethyl ether
CID 57603619
4-Methoxy-2,3,5-triazine
CID 46191705
N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexamethoxy-1,3,5-triazine-2,4,6-triamine
CID 18981593
Trimethyl-trimethylolmelamine
CID 20349061

Frequently Asked Questions

What is the IUPAC name of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The IUPAC name of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol (CID 19805193) is [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol.
What is the SMILES notation for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The canonical SMILES for [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol is CON(CO)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]methanol?
The InChIKey is BOGPQKRGMIVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O6/c1-17-13(6-16)7-10-8(14(18-2)19-3)12-9(11-7)15(20-4)21-5/h16H,6H2,1-5H3.
What are the key properties of [[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol has a molecular weight of 306.28 g/mol, XLogP of -0.95, 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]-methoxyamino]methanol is sourced from PubChem (CID 19805193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).