[4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol

C6H9N3O6 — CID 19855688

IUPAC[4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
SMILESOCOc1nc(OCO)nc(OCO)n1
InChIInChI=1S/C6H9N3O6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12/h10-12H,1-3H2
InChIKeyGVPYGRGSJROCBZ-UHFFFAOYSA-N
MW219.15 g/mol
LogP-2.14
Rot. Bonds6

About [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol

[4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol (PubChem CID 19855688) has the molecular formula C6H9N3O6 and a molecular weight of 219.15 g/mol. Its IUPAC name is [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol.

Molecular Properties

Compound Name[4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
PubChem CID19855688
Molecular FormulaC6H9N3O6
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name[4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
SMILESOCOc1nc(OCO)nc(OCO)n1
InChIInChI=1S/C6H9N3O6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12/h10-12H,1-3H2
InChIKeyGVPYGRGSJROCBZ-UHFFFAOYSA-N
XLogP-2.14
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
The IUPAC name of [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol (CID 19855688) is [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol.
What is the SMILES notation for [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
The canonical SMILES for [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol is OCOc1nc(OCO)nc(OCO)n1.
What is the InChIKey of [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
The InChIKey is GVPYGRGSJROCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12/h10-12H,1-3H2.
What are the key properties of [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
[4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol has a molecular weight of 219.15 g/mol, XLogP of -2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol is sourced from PubChem (CID 19855688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).