2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol

C8H14N4O3 — CID 58038474

IUPAC2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol
SMILESOCCc1nc(CCO)nc(NCO)n1
InChIInChI=1S/C8H14N4O3/c13-3-1-6-10-7(2-4-14)12-8(11-6)9-5-15/h13-15H,1-5H2,(H,9,10,11,12)
InChIKeyYIJGFSLIKMJTJT-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.70
Rot. Bonds6

About 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol

2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol (PubChem CID 58038474) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol
PubChem CID58038474
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol
SMILESOCCc1nc(CCO)nc(NCO)n1
InChIInChI=1S/C8H14N4O3/c13-3-1-6-10-7(2-4-14)12-8(11-6)9-5-15/h13-15H,1-5H2,(H,9,10,11,12)
InChIKeyYIJGFSLIKMJTJT-UHFFFAOYSA-N
XLogP-1.70
TPSA111.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
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 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol (CID 58038474) is 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol is OCCc1nc(CCO)nc(NCO)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is YIJGFSLIKMJTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c13-3-1-6-10-7(2-4-14)12-8(11-6)9-5-15/h13-15H,1-5H2,(H,9,10,11,12).
What are the key properties of 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol?
2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 214.22 g/mol, XLogP of -1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-6-(hydroxymethylamino)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 58038474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).