2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide

C13H23N5O2 — CID 110225961

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESCC1CN(CC(=O)NCC(C)n2cncn2)CC(C)O1
InChIInChI=1S/C13H23N5O2/c1-10(18-9-14-8-16-18)4-15-13(19)7-17-5-11(2)20-12(3)6-17/h8-12H,4-7H2,1-3H3,(H,15,19)
InChIKeyPSDPGBXDKBJBDA-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.06
Rot. Bonds5

About 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide

2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide (PubChem CID 110225961) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide
PubChem CID110225961
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESCC1CN(CC(=O)NCC(C)n2cncn2)CC(C)O1
InChIInChI=1S/C13H23N5O2/c1-10(18-9-14-8-16-18)4-15-13(19)7-17-5-11(2)20-12(3)6-17/h8-12H,4-7H2,1-3H3,(H,15,19)
InChIKeyPSDPGBXDKBJBDA-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide (CID 110225961) is 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide is CC1CN(CC(=O)NCC(C)n2cncn2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide?
The InChIKey is PSDPGBXDKBJBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(18-9-14-8-16-18)4-15-13(19)7-17-5-11(2)20-12(3)6-17/h8-12H,4-7H2,1-3H3,(H,15,19).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide?
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 110225961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).