1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

C11H18N4O2 — CID 51075618

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCn2cncn2)CC(C)O1
InChIInChI=1S/C11H18N4O2/c1-9-5-14(6-10(2)17-9)11(16)3-4-15-8-12-7-13-15/h7-10H,3-6H2,1-2H3
InChIKeyRURVGSWLCIGJDM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.30
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 51075618) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID51075618
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCn2cncn2)CC(C)O1
InChIInChI=1S/C11H18N4O2/c1-9-5-14(6-10(2)17-9)11(16)3-4-15-8-12-7-13-15/h7-10H,3-6H2,1-2H3
InChIKeyRURVGSWLCIGJDM-UHFFFAOYSA-N
XLogP0.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (CID 51075618) is 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is CC1CN(C(=O)CCn2cncn2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is RURVGSWLCIGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-5-14(6-10(2)17-9)11(16)3-4-15-8-12-7-13-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 238.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 51075618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).