2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol

C13H24N4O2 — CID 79669792

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2ncnn2CC)C1
InChIInChI=1S/C13H24N4O2/c1-3-5-16-6-7-19-12(9-16)11(18)8-13-14-10-15-17(13)4-2/h10-12,18H,3-9H2,1-2H3
InChIKeyBLYXQZABIJAEIV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.31
Rot. Bonds6

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol (PubChem CID 79669792) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
PubChem CID79669792
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2ncnn2CC)C1
InChIInChI=1S/C13H24N4O2/c1-3-5-16-6-7-19-12(9-16)11(18)8-13-14-10-15-17(13)4-2/h10-12,18H,3-9H2,1-2H3
InChIKeyBLYXQZABIJAEIV-UHFFFAOYSA-N
XLogP0.31
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79669879
(4-ethylmorpholin-2-yl)-(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 112743953
1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 104800383
1-(4-propylmorpholin-2-yl)hexan-1-ol
CID 79669554
1-(4-propylmorpholin-2-yl)undecan-1-ol
CID 79663521
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
2-(4-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 114347522
2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79826331
(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
CID 177187353
2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79668703
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propylmorpholin-2-yl)methanamine
CID 114657813

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol (CID 79669792) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol is CCCN1CCOC(C(O)Cc2ncnn2CC)C1.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol?
The InChIKey is BLYXQZABIJAEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-5-16-6-7-19-12(9-16)11(18)8-13-14-10-15-17(13)4-2/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol has a molecular weight of 268.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol is sourced from PubChem (CID 79669792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).