2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone

C20H20N4O2 — CID 654746

IUPAC2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H20N4O2/c25-18(23-11-13-26-14-12-23)15-24-20(17-9-5-2-6-10-17)21-19(22-24)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyCBJPBXQHVQOPKS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.47
Rot. Bonds4

About 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone

2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 654746) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID654746
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H20N4O2/c25-18(23-11-13-26-14-12-23)15-24-20(17-9-5-2-6-10-17)21-19(22-24)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyCBJPBXQHVQOPKS-UHFFFAOYSA-N
XLogP2.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 855851
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 95166143
N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 1147433
4,5-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50753841
3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
CID 2376076
2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
CID 71586324
(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2103687
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
CID 153189612
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
1-(7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone
CID 71585518

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone (CID 654746) is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone is O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is CBJPBXQHVQOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18(23-11-13-26-14-12-23)15-24-20(17-9-5-2-6-10-17)21-19(22-24)16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 348.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 654746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).