1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol

C9H21N3O3 — CID 68572961

IUPAC1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol
SMILESCC(O)C1NCN(C(C)O)CN1C(C)O
InChIInChI=1S/C9H21N3O3/c1-6(13)9-10-4-11(7(2)14)5-12(9)8(3)15/h6-10,13-15H,4-5H2,1-3H3
InChIKeyAXCIWCYRTXZPFY-UHFFFAOYSA-N
MW219.28 g/mol
LogP-1.51
Rot. Bonds3

About 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol

1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol (PubChem CID 68572961) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol.

Molecular Properties

Compound Name1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol
PubChem CID68572961
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol
SMILESCC(O)C1NCN(C(C)O)CN1C(C)O
InChIInChI=1S/C9H21N3O3/c1-6(13)9-10-4-11(7(2)14)5-12(9)8(3)15/h6-10,13-15H,4-5H2,1-3H3
InChIKeyAXCIWCYRTXZPFY-UHFFFAOYSA-N
XLogP-1.51
TPSA79.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
The IUPAC name of 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol (CID 68572961) is 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol.
What is the SMILES notation for 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
The canonical SMILES for 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol is CC(O)C1NCN(C(C)O)CN1C(C)O.
What is the InChIKey of 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
The InChIKey is AXCIWCYRTXZPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-6(13)9-10-4-11(7(2)14)5-12(9)8(3)15/h6-10,13-15H,4-5H2,1-3H3.
What are the key properties of 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol has a molecular weight of 219.28 g/mol, XLogP of -1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol is sourced from PubChem (CID 68572961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).