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

C8H9Cl2N3O2 — CID 81035831

IUPAC3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(OC2CCOCC2)n1
InChIInChI=1S/C8H9Cl2N3O2/c9-6-7(11-8(10)13-12-6)15-5-1-3-14-4-2-5/h5H,1-4H2
InChIKeyUEANCIAQLJMDCA-UHFFFAOYSA-N
MW250.08 g/mol
LogP1.74
Rot. Bonds2

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

3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine (PubChem CID 81035831) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine
PubChem CID81035831
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC Name3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(OC2CCOCC2)n1
InChIInChI=1S/C8H9Cl2N3O2/c9-6-7(11-8(10)13-12-6)15-5-1-3-14-4-2-5/h5H,1-4H2
InChIKeyUEANCIAQLJMDCA-UHFFFAOYSA-N
XLogP1.74
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine (CID 81035831) is 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine is Clc1nnc(Cl)c(OC2CCOCC2)n1.
What is the InChIKey of 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine?
The InChIKey is UEANCIAQLJMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c9-6-7(11-8(10)13-12-6)15-5-1-3-14-4-2-5/h5H,1-4H2.
What are the key properties of 3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine?
3,6-dichloro-5-(oxan-4-yloxy)-1,2,4-triazine has a molecular weight of 250.08 g/mol, XLogP of 1.74, 2 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-4-yloxy)-1,2,4-triazine is sourced from PubChem (CID 81035831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).