3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one

C10H16N4O3 — CID 137065796

IUPAC3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESC[C@@H]1CN(C(=O)Cc2n[nH]c(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C10H16N4O3/c1-6-4-14(5-7(2)17-6)9(15)3-8-11-10(16)13-12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,16)/t6-,7+
InChIKeyMLLAFZKJXUTGTE-KNVOCYPGSA-N
MW240.26 g/mol
LogP-0.72
Rot. Bonds2

About 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137065796) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137065796
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESC[C@@H]1CN(C(=O)Cc2n[nH]c(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C10H16N4O3/c1-6-4-14(5-7(2)17-6)9(15)3-8-11-10(16)13-12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,16)/t6-,7+
InChIKeyMLLAFZKJXUTGTE-KNVOCYPGSA-N
XLogP-0.72
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[1-(2-Butoxypropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136541155
5-{3-oxo-3-[2-(trifluoromethyl)-4-morpholinyl]propyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 163309232
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 118795028
3-(4-Methylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136277918
3-(4-Propylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136294492
3-(4-Propan-2-ylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136294570
3-(4-Ethylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136295921
5-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 137025305
3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086682
3-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086683
3-[(3R)-1-[(2R)-2-butoxypropanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137125180
3-[(3S)-1-[(2R)-2-butoxypropanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137125181

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137065796) is 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one is C[C@@H]1CN(C(=O)Cc2n[nH]c(=O)[nH]2)C[C@H](C)O1.
What is the InChIKey of 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is MLLAFZKJXUTGTE-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-4-14(5-7(2)17-6)9(15)3-8-11-10(16)13-12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,16)/t6-,7+.
What are the key properties of 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 240.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137065796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).