1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone

C13H23N5O2 — CID 66193325

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone
SMILESCCNCc1cn(CC(=O)N2CC(C)OC(C)C2)nn1
InChIInChI=1S/C13H23N5O2/c1-4-14-5-12-8-18(16-15-12)9-13(19)17-6-10(2)20-11(3)7-17/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyOODIOMFZYYNSJH-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.02
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone (PubChem CID 66193325) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone
PubChem CID66193325
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone
SMILESCCNCc1cn(CC(=O)N2CC(C)OC(C)C2)nn1
InChIInChI=1S/C13H23N5O2/c1-4-14-5-12-8-18(16-15-12)9-13(19)17-6-10(2)20-11(3)7-17/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyOODIOMFZYYNSJH-UHFFFAOYSA-N
XLogP0.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone (CID 66193325) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone is CCNCc1cn(CC(=O)N2CC(C)OC(C)C2)nn1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone?
The InChIKey is OODIOMFZYYNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-14-5-12-8-18(16-15-12)9-13(19)17-6-10(2)20-11(3)7-17/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone has a molecular weight of 281.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone is sourced from PubChem (CID 66193325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).