[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol

C9H16N4O2 — CID 79669524

IUPAC[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCCN1CCOC(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C9H16N4O2/c1-2-13-3-4-15-7(5-13)9-10-8(6-14)11-12-9/h7,14H,2-6H2,1H3,(H,10,11,12)
InChIKeyGDGVGOCDIJWLTK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.31
Rot. Bonds3

About [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol

[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 79669524) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID79669524
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCCN1CCOC(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C9H16N4O2/c1-2-13-3-4-15-7(5-13)9-10-8(6-14)11-12-9/h7,14H,2-6H2,1H3,(H,10,11,12)
InChIKeyGDGVGOCDIJWLTK-UHFFFAOYSA-N
XLogP-0.31
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 79669765
[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600443
[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79662691
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71872375
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028
(2S)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512465
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928045
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol (CID 79669524) is [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol is CCN1CCOC(c2n[nH]c(CO)n2)C1.
What is the InChIKey of [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is GDGVGOCDIJWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-13-3-4-15-7(5-13)9-10-8(6-14)11-12-9/h7,14H,2-6H2,1H3,(H,10,11,12).
What are the key properties of [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 212.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 79669524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).