[4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol

C5H7N3O6 — CID 134358295

IUPAC[4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol
SMILESOC(O)Oc1ncnc(OC(O)O)n1
InChIInChI=1S/C5H7N3O6/c9-4(10)13-2-6-1-7-3(8-2)14-5(11)12/h1,4-5,9-12H
InChIKeyWEUYKQCJDVFSSN-UHFFFAOYSA-N
MW205.13 g/mol
LogP-2.83
Rot. Bonds4

About [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol

[4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol (PubChem CID 134358295) has the molecular formula C5H7N3O6 and a molecular weight of 205.13 g/mol. Its IUPAC name is [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol.

Molecular Properties

Compound Name[4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol
PubChem CID134358295
Molecular FormulaC5H7N3O6
Molecular Weight205.13 g/mol
Exact Mass205.03
IUPAC Name[4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol
SMILESOC(O)Oc1ncnc(OC(O)O)n1
InChIInChI=1S/C5H7N3O6/c9-4(10)13-2-6-1-7-3(8-2)14-5(11)12/h1,4-5,9-12H
InChIKeyWEUYKQCJDVFSSN-UHFFFAOYSA-N
XLogP-2.83
TPSA138.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 5-2.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[4,6-Bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
CID 19855688
1,3,5-Triazin-2-yloxymethanetriol
CID 88450386
[4-(Hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
CID 134358301
Formic acid;1,3,5-triazine
CID 140401998
Formic acid;1,3,5-triazine
CID 158481269
Methanol;1,3,5-triazine
CID 158960503
Copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone
CID 175067781

Frequently Asked Questions

What is the IUPAC name of [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol?
The IUPAC name of [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol (CID 134358295) is [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol.
What is the SMILES notation for [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol?
The canonical SMILES for [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol is OC(O)Oc1ncnc(OC(O)O)n1.
What is the InChIKey of [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol?
The InChIKey is WEUYKQCJDVFSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O6/c9-4(10)13-2-6-1-7-3(8-2)14-5(11)12/h1,4-5,9-12H.
What are the key properties of [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol?
[4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol has a molecular weight of 205.13 g/mol, XLogP of -2.83, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol is sourced from PubChem (CID 134358295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).