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

C7H14N6O4 — CID 19767297

IUPAC[[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
SMILESCON(CO)c1nc(N)nc(N(OC)OC)n1
InChIInChI=1S/C7H14N6O4/c1-15-12(4-14)6-9-5(8)10-7(11-6)13(16-2)17-3/h14H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyJWEIEUSIPQTNHI-UHFFFAOYSA-N
MW246.23 g/mol
LogP-1.30
Rot. Bonds6

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

[[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol (PubChem CID 19767297) has the molecular formula C7H14N6O4 and a molecular weight of 246.23 g/mol. Its IUPAC name is [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol.

Molecular Properties

Compound Name[[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
PubChem CID19767297
Molecular FormulaC7H14N6O4
Molecular Weight246.23 g/mol
Exact Mass246.11
IUPAC Name[[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol
SMILESCON(CO)c1nc(N)nc(N(OC)OC)n1
InChIInChI=1S/C7H14N6O4/c1-15-12(4-14)6-9-5(8)10-7(11-6)13(16-2)17-3/h14H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyJWEIEUSIPQTNHI-UHFFFAOYSA-N
XLogP-1.30
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Hmmm TP311
CID 20463987
N-[4-[hydroxy(methyl)amino]-6-(methoxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 46226433
((6-Amino-1,3,5-triazine-2,4-diyl)dinitrilo)tetrakismethanol
CID 17801384
((4,6-Diamino-1,3,5-triazin-2-yl)imino)bismethanol
CID 21893977
4-Methoxy-2,3,5-triazine
CID 46191705
N-Hydroxy-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 71443744
Pentamethoxy-methylmelamine
CID 21900396
Dimethoxy methylmelamine
CID 132278717
2-Hydroxyamino-4-dimethylamino-6-methoxy-sym-triazine
CID 4640921
2-N,2-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11435367
N-[4-(dimethylamino)-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 17779857
[(4,6-Diamino-1,3,5-triazin-2-yl)-methylamino]methanol
CID 18172235

Frequently Asked Questions

What is the IUPAC name of [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The IUPAC name of [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol (CID 19767297) is [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol.
What is the SMILES notation for [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The canonical SMILES for [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol is CON(CO)c1nc(N)nc(N(OC)OC)n1.
What is the InChIKey of [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
The InChIKey is JWEIEUSIPQTNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O4/c1-15-12(4-14)6-9-5(8)10-7(11-6)13(16-2)17-3/h14H,4H2,1-3H3,(H2,8,9,10,11).
What are the key properties of [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol?
[[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol has a molecular weight of 246.23 g/mol, XLogP of -1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-amino-6-(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]methanol is sourced from PubChem (CID 19767297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).