2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone

C11H16N4O3 — CID 82202536

IUPAC2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone
SMILESCC(=O)c1nnn(CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C11H16N4O3/c1-8-11(9(2)16)12-13-15(8)7-10(17)14-3-5-18-6-4-14/h3-7H2,1-2H3
InChIKeyMRXZEUOKAFUSHQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.35
Rot. Bonds3

About 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone

2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 82202536) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID82202536
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone
SMILESCC(=O)c1nnn(CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C11H16N4O3/c1-8-11(9(2)16)12-13-15(8)7-10(17)14-3-5-18-6-4-14/h3-7H2,1-2H3
InChIKeyMRXZEUOKAFUSHQ-UHFFFAOYSA-N
XLogP-0.35
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone 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 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone (CID 82202536) is 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone is CC(=O)c1nnn(CC(=O)N2CCOCC2)c1C.
What is the InChIKey of 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is MRXZEUOKAFUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-11(9(2)16)12-13-15(8)7-10(17)14-3-5-18-6-4-14/h3-7H2,1-2H3.
What are the key properties of 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone?
2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 252.27 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-5-methyltriazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 82202536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).