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

C11H18N4O2 — CID 48522300

IUPAC1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCn1cncn1
InChIInChI=1S/C11H18N4O2/c1-11(2)7-17-6-5-15(11)10(16)3-4-14-9-12-8-13-14/h8-9H,3-7H2,1-2H3
InChIKeyFBHVIOJTPQISRE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.31
Rot. Bonds3

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

1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 48522300) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID48522300
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCn1cncn1
InChIInChI=1S/C11H18N4O2/c1-11(2)7-17-6-5-15(11)10(16)3-4-14-9-12-8-13-14/h8-9H,3-7H2,1-2H3
InChIKeyFBHVIOJTPQISRE-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (CID 48522300) is 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is CC1(C)COCCN1C(=O)CCn1cncn1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is FBHVIOJTPQISRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2)7-17-6-5-15(11)10(16)3-4-14-9-12-8-13-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 238.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 48522300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).