2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C13H23N5O3 — CID 118795028

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2n[nH]c(=O)n2C)C[C@H](C)O1
InChIInChI=1S/C13H23N5O3/c1-9-6-18(7-10(2)21-9)8-12(19)14-5-4-11-15-16-13(20)17(11)3/h9-10H,4-8H2,1-3H3,(H,14,19)(H,16,20)/t9-,10+
InChIKeyGQFGXYHOTUWKOH-AOOOYVTPSA-N
MW297.36 g/mol
LogP-1.12
Rot. Bonds5

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 118795028) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID118795028
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2n[nH]c(=O)n2C)C[C@H](C)O1
InChIInChI=1S/C13H23N5O3/c1-9-6-18(7-10(2)21-9)8-12(19)14-5-4-11-15-16-13(20)17(11)3/h9-10H,4-8H2,1-3H3,(H,14,19)(H,16,20)/t9-,10+
InChIKeyGQFGXYHOTUWKOH-AOOOYVTPSA-N
XLogP-1.12
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-3-methyl-N-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 137933652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 43045315
1-(2,6-dimethylmorpholin-4-yl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone
CID 46652183
1-(2-methylmorpholin-4-yl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone
CID 46674339
6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
CID 61338377
6-[2-(Aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61338378
2,4-Dimethyl-6-[(4-methylmorpholin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
CID 78916141
6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 78916178
6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
CID 81217504
6-[2-(methylaminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
CID 81687137
6-[methyl(morpholin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 81687395
2,4-Dimethyl-6-[2-(methylaminomethyl)morpholin-4-yl]-1,2,4-triazine-3,5-dione
CID 81687704

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 118795028) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide is C[C@@H]1CN(CC(=O)NCCc2n[nH]c(=O)n2C)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is GQFGXYHOTUWKOH-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-9-6-18(7-10(2)21-9)8-12(19)14-5-4-11-15-16-13(20)17(11)3/h9-10H,4-8H2,1-3H3,(H,14,19)(H,16,20)/t9-,10+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 118795028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).