1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone

C9H13BrN4O2 — CID 106464215

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone
SMILESCn1nnc(Br)c1C(=O)CC1COCCN1
InChIInChI=1S/C9H13BrN4O2/c1-14-8(9(10)12-13-14)7(15)4-6-5-16-3-2-11-6/h6,11H,2-5H2,1H3
InChIKeyZCUVFRJRXYGPAZ-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.14
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone

1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone (PubChem CID 106464215) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone
PubChem CID106464215
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone
SMILESCn1nnc(Br)c1C(=O)CC1COCCN1
InChIInChI=1S/C9H13BrN4O2/c1-14-8(9(10)12-13-14)7(15)4-6-5-16-3-2-11-6/h6,11H,2-5H2,1H3
InChIKeyZCUVFRJRXYGPAZ-UHFFFAOYSA-N
XLogP0.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-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 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone (CID 106464215) is 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone is Cn1nnc(Br)c1C(=O)CC1COCCN1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone?
The InChIKey is ZCUVFRJRXYGPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-14-8(9(10)12-13-14)7(15)4-6-5-16-3-2-11-6/h6,11H,2-5H2,1H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone?
1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone has a molecular weight of 289.13 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 106464215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).