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

C8H16N6O5 — CID 19805211

IUPAC[[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
SMILESCONc1nc(N(CO)OC)nc(N(OC)OC)n1
InChIInChI=1S/C8H16N6O5/c1-16-12-6-9-7(13(5-15)17-2)11-8(10-6)14(18-3)19-4/h15H,5H2,1-4H3,(H,9,10,11,12)
InChIKeyNJHOOZXWUHKYNR-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.91
Rot. Bonds8

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

[[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol (PubChem CID 19805211) has the molecular formula C8H16N6O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol.

Molecular Properties

Compound Name[[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
PubChem CID19805211
Molecular FormulaC8H16N6O5
Molecular Weight276.25 g/mol
Exact Mass276.12
IUPAC Name[[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
SMILESCONc1nc(N(CO)OC)nc(N(OC)OC)n1
InChIInChI=1S/C8H16N6O5/c1-16-12-6-9-7(13(5-15)17-2)11-8(10-6)14(18-3)19-4/h15H,5H2,1-4H3,(H,9,10,11,12)
InChIKeyNJHOOZXWUHKYNR-UHFFFAOYSA-N
XLogP-0.91
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The IUPAC name of [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol (CID 19805211) is [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol.
What is the SMILES notation for [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The canonical SMILES for [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol is CONc1nc(N(CO)OC)nc(N(OC)OC)n1.
What is the InChIKey of [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The InChIKey is NJHOOZXWUHKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O5/c1-16-12-6-9-7(13(5-15)17-2)11-8(10-6)14(18-3)19-4/h15H,5H2,1-4H3,(H,9,10,11,12).
What are the key properties of [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
[[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol has a molecular weight of 276.25 g/mol, XLogP of -0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethoxyamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol is sourced from PubChem (CID 19805211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).