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

C9H22N3O3+ — CID 175286137

IUPAC1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron
SMILESCC(O)N1CN(C(C)O)CN(C(C)O)C1.[H+]
InChIInChI=1S/C9H21N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h7-9,13-15H,4-6H2,1-3H3/p+1
InChIKeyCKGQMUOAYGILAQ-UHFFFAOYSA-O
MW220.29 g/mol
LogP-1.09
Rot. Bonds3

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

1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron (PubChem CID 175286137) has the molecular formula C9H22N3O3+ and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron.

Molecular Properties

Compound Name1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron
PubChem CID175286137
Molecular FormulaC9H22N3O3+
Molecular Weight220.29 g/mol
Exact Mass220.17
IUPAC Name1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron
SMILESCC(O)N1CN(C(C)O)CN(C(C)O)C1.[H+]
InChIInChI=1S/C9H21N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h7-9,13-15H,4-6H2,1-3H3/p+1
InChIKeyCKGQMUOAYGILAQ-UHFFFAOYSA-O
XLogP-1.09
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 122204865
(1S)-1-piperidin-1-ylethanol
CID 86312531
tetrakis(propan-2-ol);thulium
CID 174050117
holmium;tris(propan-2-ol)
CID 102601028
CID 85354423
CID 85354423
tetrakis(propan-2-ol);samarium
CID 175326578
Indium(III) isopropoxide
CID 159258374
CID 131857540
CID 131857540
propan-2-ol;titanium
CID 25200171
ethane;tetrakis(propan-2-ol)
CID 174681393
cerium;tetrakis(propan-2-ol)
CID 87109563
methanol;pentakis(propan-2-ol)
CID 19010899

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron?
The IUPAC name of 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron (CID 175286137) is 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron.
What is the SMILES notation for 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron?
The canonical SMILES for 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron is CC(O)N1CN(C(C)O)CN(C(C)O)C1.[H+].
What is the InChIKey of 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron?
The InChIKey is CKGQMUOAYGILAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h7-9,13-15H,4-6H2,1-3H3/p+1.
What are the key properties of 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron?
1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron has a molecular weight of 220.29 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron is sourced from PubChem (CID 175286137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).