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

C9H15N3O3 — CID 20520753

IUPAC1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
SMILESCC(O)c1nc(C(C)O)nc(C(C)O)n1
InChIInChI=1S/C9H15N3O3/c1-4(13)7-10-8(5(2)14)12-9(11-7)6(3)15/h4-6,13-15H,1-3H3
InChIKeyAAYFGOYGFHOWLO-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.03
Rot. Bonds3

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

1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol (PubChem CID 20520753) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
PubChem CID20520753
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
SMILESCC(O)c1nc(C(C)O)nc(C(C)O)n1
InChIInChI=1S/C9H15N3O3/c1-4(13)7-10-8(5(2)14)12-9(11-7)6(3)15/h4-6,13-15H,1-3H3
InChIKeyAAYFGOYGFHOWLO-UHFFFAOYSA-N
XLogP0.03
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol (CID 20520753) is 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol is CC(O)c1nc(C(C)O)nc(C(C)O)n1.
What is the InChIKey of 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is AAYFGOYGFHOWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4(13)7-10-8(5(2)14)12-9(11-7)6(3)15/h4-6,13-15H,1-3H3.
What are the key properties of 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 213.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 20520753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).