2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol

C18H26N4O3 — CID 131921409

IUPAC2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)(c1nc(COc2ccccc2)nn1CCO)N1CCOCC1
InChIInChI=1S/C18H26N4O3/c1-18(2,21-9-12-24-13-10-21)17-19-16(20-22(17)8-11-23)14-25-15-6-4-3-5-7-15/h3-7,23H,8-14H2,1-2H3
InChIKeyCSIVQAOFJRPQSP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.42
Rot. Bonds7

About 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol

2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 131921409) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID131921409
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)(c1nc(COc2ccccc2)nn1CCO)N1CCOCC1
InChIInChI=1S/C18H26N4O3/c1-18(2,21-9-12-24-13-10-21)17-19-16(20-22(17)8-11-23)14-25-15-6-4-3-5-7-15/h3-7,23H,8-14H2,1-2H3
InChIKeyCSIVQAOFJRPQSP-UHFFFAOYSA-N
XLogP1.42
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol with MolForge

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Related Compounds

7-[2-(2-hydroxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 72877617
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
2-[5-(2-morpholin-4-ylpyrimidin-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]ethanol
CID 72897243
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866876
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195728
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111005903
10,29-bis(phenoxymethyl)-12,15,18,21,24,27-hexaoxapentacyclo[26.8.0.02,11.03,8.031,36]hexatriaconta-1(28),2(11),3,5,7,9,29,31,33,35-decaene
CID 3305730
1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine
CID 146141999
(2S)-2-morpholin-4-yl-3-phenoxypropan-1-amine
CID 28920169
[3-methyl-1-(2-phenoxyethyl)-4-phenylpyrazol-5-yl] morpholine-4-carboxylate
CID 22769112
4-(2-hydroxyethyl)-2-(4-phenylmethoxyphenyl)morpholin-2-ol
CID 141298287

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol (CID 131921409) is 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol is CC(C)(c1nc(COc2ccccc2)nn1CCO)N1CCOCC1.
What is the InChIKey of 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is CSIVQAOFJRPQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,21-9-12-24-13-10-21)17-19-16(20-22(17)8-11-23)14-25-15-6-4-3-5-7-15/h3-7,23H,8-14H2,1-2H3.
What are the key properties of 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol?
2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 346.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-morpholin-4-ylpropan-2-yl)-3-(phenoxymethyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 131921409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).