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

C5H7N3O4 — CID 134358301

IUPAC[4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
SMILESOCOc1ncnc(OCO)n1
InChIInChI=1S/C5H7N3O4/c9-2-11-4-6-1-7-5(8-4)12-3-10/h1,9-10H,2-3H2
InChIKeyGMAOAZGWWMWBJD-UHFFFAOYSA-N
MW173.13 g/mol
LogP-1.47
Rot. Bonds4

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

[4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol (PubChem CID 134358301) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol.

Molecular Properties

Compound Name[4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
PubChem CID134358301
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name[4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
SMILESOCOc1ncnc(OCO)n1
InChIInChI=1S/C5H7N3O4/c9-2-11-4-6-1-7-5(8-4)12-3-10/h1,9-10H,2-3H2
InChIKeyGMAOAZGWWMWBJD-UHFFFAOYSA-N
XLogP-1.47
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
The IUPAC name of [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol (CID 134358301) is [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol.
What is the SMILES notation for [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
The canonical SMILES for [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol is OCOc1ncnc(OCO)n1.
What is the InChIKey of [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
The InChIKey is GMAOAZGWWMWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c9-2-11-4-6-1-7-5(8-4)12-3-10/h1,9-10H,2-3H2.
What are the key properties of [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol?
[4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol has a molecular weight of 173.13 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol is sourced from PubChem (CID 134358301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).