2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine

C10H16ClN3O2 — CID 62857022

IUPAC2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(OC(C)(C)CC)n1
InChIInChI=1S/C10H16ClN3O2/c1-5-10(3,4)16-9-13-7(11)12-8(14-9)15-6-2/h5-6H2,1-4H3
InChIKeyQAKLYLLHIODRMH-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.49
Rot. Bonds5

About 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine

2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine (PubChem CID 62857022) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
PubChem CID62857022
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(OC(C)(C)CC)n1
InChIInChI=1S/C10H16ClN3O2/c1-5-10(3,4)16-9-13-7(11)12-8(14-9)15-6-2/h5-6H2,1-4H3
InChIKeyQAKLYLLHIODRMH-UHFFFAOYSA-N
XLogP2.49
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine 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-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine (CID 62857022) is 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine is CCOc1nc(Cl)nc(OC(C)(C)CC)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
The InChIKey is QAKLYLLHIODRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-5-10(3,4)16-9-13-7(11)12-8(14-9)15-6-2/h5-6H2,1-4H3.
What are the key properties of 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine has a molecular weight of 245.71 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 62857022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).