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

C11H9Cl2N3O — CID 81036264

IUPAC3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine
SMILESCCc1ccccc1Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-2-7-5-3-4-6-8(7)17-10-9(12)15-16-11(13)14-10/h3-6H,2H2,1H3
InChIKeyYBJBHLHVUPWVFF-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.53
Rot. Bonds3

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

3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine (PubChem CID 81036264) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine
PubChem CID81036264
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine
SMILESCCc1ccccc1Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-2-7-5-3-4-6-8(7)17-10-9(12)15-16-11(13)14-10/h3-6H,2H2,1H3
InChIKeyYBJBHLHVUPWVFF-UHFFFAOYSA-N
XLogP3.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
CID 81036257
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
2-chloro-6-(2-ethylphenoxy)pyridine
CID 60726953
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
2-chloro-6-(2-ethylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715226
1-(2-ethylphenoxy)naphthalene
CID 154158015
CID 70628268
CID 70628268
5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
CID 104707066
4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine
CID 80875950
[2-(2-ethylphenoxy)-3-pyridinyl]methanol
CID 61257757
(2-ethylphenoxy)-methylphosphane
CID 142904661

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine (CID 81036264) is 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine is CCc1ccccc1Oc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine?
The InChIKey is YBJBHLHVUPWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-2-7-5-3-4-6-8(7)17-10-9(12)15-16-11(13)14-10/h3-6H,2H2,1H3.
What are the key properties of 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine?
3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine has a molecular weight of 270.12 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine is sourced from PubChem (CID 81036264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).