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

C9H21N3O3 — CID 12831186

IUPAC2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol
SMILESOCCC1N(CCO)CNCN1CCO
InChIInChI=1S/C9H21N3O3/c13-4-1-9-11(2-5-14)7-10-8-12(9)3-6-15/h9-10,13-15H,1-8H2
InChIKeyQZVRHYWLXRHHQN-UHFFFAOYSA-N
MW219.28 g/mol
LogP-2.20
Rot. Bonds6

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

2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol (PubChem CID 12831186) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol.

Molecular Properties

Compound Name2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol
PubChem CID12831186
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol
SMILESOCCC1N(CCO)CNCN1CCO
InChIInChI=1S/C9H21N3O3/c13-4-1-9-11(2-5-14)7-10-8-12(9)3-6-15/h9-10,13-15H,1-8H2
InChIKeyQZVRHYWLXRHHQN-UHFFFAOYSA-N
XLogP-2.20
TPSA79.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
The IUPAC name of 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol (CID 12831186) is 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol.
What is the SMILES notation for 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
The canonical SMILES for 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol is OCCC1N(CCO)CNCN1CCO.
What is the InChIKey of 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
The InChIKey is QZVRHYWLXRHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c13-4-1-9-11(2-5-14)7-10-8-12(9)3-6-15/h9-10,13-15H,1-8H2.
What are the key properties of 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol?
2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol has a molecular weight of 219.28 g/mol, XLogP of -2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol is sourced from PubChem (CID 12831186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).