1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone

C14H16N4O2 — CID 141342527

IUPAC1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone
SMILESO=C(Cc1cccc(-n2ccnn2)c1)N1CCOCC1
InChIInChI=1S/C14H16N4O2/c19-14(17-6-8-20-9-7-17)11-12-2-1-3-13(10-12)18-5-4-15-16-18/h1-5,10H,6-9,11H2
InChIKeyZEBJENLKYWAZHO-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.67
Rot. Bonds3

About 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone

1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone (PubChem CID 141342527) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone
PubChem CID141342527
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone
SMILESO=C(Cc1cccc(-n2ccnn2)c1)N1CCOCC1
InChIInChI=1S/C14H16N4O2/c19-14(17-6-8-20-9-7-17)11-12-2-1-3-13(10-12)18-5-4-15-16-18/h1-5,10H,6-9,11H2
InChIKeyZEBJENLKYWAZHO-UHFFFAOYSA-N
XLogP0.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-[[3-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360477
1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone
CID 143637046
[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126803064
4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide
CID 102562606
4-[[4-(triazol-1-yl)phenyl]methyl]morpholine
CID 141342555
N-hydroxy-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 87916102
2-(3-bromophenyl)-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[3-(2-trimethylsilylethynyl)phenyl]ethanone
CID 162234875
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-morpholin-4-ylphenyl)ethanone
CID 58144710
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290529

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone (CID 141342527) is 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone is O=C(Cc1cccc(-n2ccnn2)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone?
The InChIKey is ZEBJENLKYWAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(17-6-8-20-9-7-17)11-12-2-1-3-13(10-12)18-5-4-15-16-18/h1-5,10H,6-9,11H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone?
1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone has a molecular weight of 272.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 141342527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).