6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C14H17ClN4O3 — CID 8895365

IUPAC6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(CCOc1ccc(Cl)cc1)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17ClN4O3/c1-17(8-9-22-11-6-4-10(15)5-7-11)12-13(20)18(2)14(21)19(3)16-12/h4-7H,8-9H2,1-3H3
InChIKeyYJYFTRKTCZQOGV-UHFFFAOYSA-N
MW324.77 g/mol
LogP0.65
Rot. Bonds5

About 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 8895365) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID8895365
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(CCOc1ccc(Cl)cc1)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H17ClN4O3/c1-17(8-9-22-11-6-4-10(15)5-7-11)12-13(20)18(2)14(21)19(3)16-12/h4-7H,8-9H2,1-3H3
InChIKeyYJYFTRKTCZQOGV-UHFFFAOYSA-N
XLogP0.65
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 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-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 8895365) is 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(CCOc1ccc(Cl)cc1)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is YJYFTRKTCZQOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-17(8-9-22-11-6-4-10(15)5-7-11)12-13(20)18(2)14(21)19(3)16-12/h4-7H,8-9H2,1-3H3.
What are the key properties of 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 324.77 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenoxy)ethyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 8895365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).