1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate

C9H13N3O2 — CID 154095297

IUPAC1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nc(C)nc(C)n1
InChIInChI=1S/C9H13N3O2/c1-5(14-8(4)13)9-11-6(2)10-7(3)12-9/h5H,1-4H3
InChIKeyCHCYJRMZJVDZOZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.11
Rot. Bonds2

About 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate

1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate (PubChem CID 154095297) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate.

Molecular Properties

Compound Name1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate
PubChem CID154095297
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nc(C)nc(C)n1
InChIInChI=1S/C9H13N3O2/c1-5(14-8(4)13)9-11-6(2)10-7(3)12-9/h5H,1-4H3
InChIKeyCHCYJRMZJVDZOZ-UHFFFAOYSA-N
XLogP1.11
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate 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-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate?
The IUPAC name of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate (CID 154095297) is 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate.
What is the SMILES notation for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate?
The canonical SMILES for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate is CC(=O)OC(C)c1nc(C)nc(C)n1.
What is the InChIKey of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate?
The InChIKey is CHCYJRMZJVDZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(14-8(4)13)9-11-6(2)10-7(3)12-9/h5H,1-4H3.
What are the key properties of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate?
1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate has a molecular weight of 195.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl acetate is sourced from PubChem (CID 154095297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).