2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C18H25N5O2 — CID 71872781

IUPAC2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc(C2CN(C(=O)CN(C)Cc3ccccc3)CCO2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-3-16-19-18(21-20-16)15-12-23(9-10-25-15)17(24)13-22(2)11-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,20,21)
InChIKeyKKUXHFORTXEXHH-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.40
Rot. Bonds6

About 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 71872781) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID71872781
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc(C2CN(C(=O)CN(C)Cc3ccccc3)CCO2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-3-16-19-18(21-20-16)15-12-23(9-10-25-15)17(24)13-22(2)11-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,20,21)
InChIKeyKKUXHFORTXEXHH-UHFFFAOYSA-N
XLogP1.40
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 71928774
2-phenylmethoxy-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872803
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059556
2-phenylmethoxy-1-[(2S)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 96511848
2-(benzotriazol-1-yl)-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 167874526
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
(3S)-1-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96996811
2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71928809
4-[2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 96996849
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97059653
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 71872781) is 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is CCc1nc(C2CN(C(=O)CN(C)Cc3ccccc3)CCO2)n[nH]1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is KKUXHFORTXEXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-16-19-18(21-20-16)15-12-23(9-10-25-15)17(24)13-22(2)11-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 71872781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).