[1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone

C17H21ClN4O2 — CID 51099239

IUPAC[1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(C)OC(C)(C)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-11-9-21(10-17(3,4)24-11)16(23)15-19-12(2)22(20-15)14-8-6-5-7-13(14)18/h5-8,11H,9-10H2,1-4H3
InChIKeyMFZLVEJDGCSIKU-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.87
Rot. Bonds2

About [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone

[1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 51099239) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID51099239
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name[1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(C)OC(C)(C)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-11-9-21(10-17(3,4)24-11)16(23)15-19-12(2)22(20-15)14-8-6-5-7-13(14)18/h5-8,11H,9-10H2,1-4H3
InChIKeyMFZLVEJDGCSIKU-UHFFFAOYSA-N
XLogP2.87
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689999
1-[4-[1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522290
(3-chloro-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 79831111
1-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257385
(3R)-2-[1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124696144
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114918341
(2S,3aR,7aS)-1-[1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124696154
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 120807364
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methanone
CID 120657951
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 51099239) is [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone is Cc1nc(C(=O)N2CC(C)OC(C)(C)C2)nn1-c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is MFZLVEJDGCSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11-9-21(10-17(3,4)24-11)16(23)15-19-12(2)22(20-15)14-8-6-5-7-13(14)18/h5-8,11H,9-10H2,1-4H3.
What are the key properties of [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone?
[1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 348.83 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 51099239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).