3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine

C9H11Cl2N3O2 — CID 81036038

IUPAC3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(OCC2CCCCO2)n1
InChIInChI=1S/C9H11Cl2N3O2/c10-7-8(12-9(11)14-13-7)16-5-6-3-1-2-4-15-6/h6H,1-5H2
InChIKeyQPYYMWAWJHNELJ-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.13
Rot. Bonds3

About 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine

3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine (PubChem CID 81036038) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine
PubChem CID81036038
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(OCC2CCCCO2)n1
InChIInChI=1S/C9H11Cl2N3O2/c10-7-8(12-9(11)14-13-7)16-5-6-3-1-2-4-15-6/h6H,1-5H2
InChIKeyQPYYMWAWJHNELJ-UHFFFAOYSA-N
XLogP2.13
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-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 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine (CID 81036038) is 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine is Clc1nnc(Cl)c(OCC2CCCCO2)n1.
What is the InChIKey of 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine?
The InChIKey is QPYYMWAWJHNELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c10-7-8(12-9(11)14-13-7)16-5-6-3-1-2-4-15-6/h6H,1-5H2.
What are the key properties of 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine?
3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine has a molecular weight of 264.11 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(oxan-2-ylmethoxy)-1,2,4-triazine is sourced from PubChem (CID 81036038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).