1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone

C16H20N4O2 — CID 56819557

IUPAC1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
SMILESCc1c(CC(=O)N2CCOCC2C)nnn1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-12-11-22-9-8-19(12)16(21)10-15-13(2)20(18-17-15)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyCLVDGBOYTBJLTI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds3

About 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone

1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone (PubChem CID 56819557) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
PubChem CID56819557
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
SMILESCc1c(CC(=O)N2CCOCC2C)nnn1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-12-11-22-9-8-19(12)16(21)10-15-13(2)20(18-17-15)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyCLVDGBOYTBJLTI-UHFFFAOYSA-N
XLogP1.37
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylpiperazin-1-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 71877360
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 97066772
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125132186
cis-(1S,3R)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676507
cis-(1R,3S)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678634
(2S,4R)-4-fluoro-1-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 120965538
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 119540826
6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one
CID 94095562
3-fluoro-1-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119259005
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 125135379
1-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169260

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone?
The IUPAC name of 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone (CID 56819557) is 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone is Cc1c(CC(=O)N2CCOCC2C)nnn1-c1ccccc1.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone?
The InChIKey is CLVDGBOYTBJLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-11-22-9-8-19(12)16(21)10-15-13(2)20(18-17-15)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone?
1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 56819557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).