6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine

C12H19BrN4O — CID 114787973

IUPAC6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
SMILESCc1nnc(N2CC(CBr)OC(C)(C)C2)nc1C
InChIInChI=1S/C12H19BrN4O/c1-8-9(2)15-16-11(14-8)17-6-10(5-13)18-12(3,4)7-17/h10H,5-7H2,1-4H3
InChIKeyIIWQQGGPGSNEHU-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.87
Rot. Bonds2

About 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine (PubChem CID 114787973) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
PubChem CID114787973
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
SMILESCc1nnc(N2CC(CBr)OC(C)(C)C2)nc1C
InChIInChI=1S/C12H19BrN4O/c1-8-9(2)15-16-11(14-8)17-6-10(5-13)18-12(3,4)7-17/h10H,5-7H2,1-4H3
InChIKeyIIWQQGGPGSNEHU-UHFFFAOYSA-N
XLogP1.87
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine 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 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine (CID 114787973) is 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine is Cc1nnc(N2CC(CBr)OC(C)(C)C2)nc1C.
What is the InChIKey of 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
The InChIKey is IIWQQGGPGSNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-8-9(2)15-16-11(14-8)17-6-10(5-13)18-12(3,4)7-17/h10H,5-7H2,1-4H3.
What are the key properties of 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine has a molecular weight of 315.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114787973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).