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

C9H4Cl3N3O — CID 81036257

IUPAC3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccccc2Cl)n1
InChIInChI=1S/C9H4Cl3N3O/c10-5-3-1-2-4-6(5)16-8-7(11)14-15-9(12)13-8/h1-4H
InChIKeyVMQGJESLTCJZJM-UHFFFAOYSA-N
MW276.51 g/mol
LogP3.62
Rot. Bonds2

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

3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine (PubChem CID 81036257) has the molecular formula C9H4Cl3N3O and a molecular weight of 276.51 g/mol. Its IUPAC name is 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
PubChem CID81036257
Molecular FormulaC9H4Cl3N3O
Molecular Weight276.51 g/mol
Exact Mass274.94
IUPAC Name3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccccc2Cl)n1
InChIInChI=1S/C9H4Cl3N3O/c10-5-3-1-2-4-6(5)16-8-7(11)14-15-9(12)13-8/h1-4H
InChIKeyVMQGJESLTCJZJM-UHFFFAOYSA-N
XLogP3.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine
CID 81036264
2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine
CID 114044060
3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine
CID 103174589
3,6-dichloro-5-(3-chlorophenoxy)-1,2,4-triazine
CID 81037722
5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine
CID 114270911
5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
CID 104707066
4-chloro-6-(2-chlorophenoxy)pyrimidin-5-amine
CID 46172362
3,6-dichloro-5-(2,5-dimethyl-4-nitrophenoxy)-1,2,4-triazine
CID 81036467
3-(2-chlorophenoxy)pyrazin-2-amine
CID 102987821
5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
CID 81035281
3-(2-chlorophenoxy)pyridazine-4-carbonitrile
CID 80510196
3,6-dichloro-5-(4-methoxy-2-nitrophenoxy)-1,2,4-triazine
CID 81037104

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine (CID 81036257) is 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine is Clc1nnc(Cl)c(Oc2ccccc2Cl)n1.
What is the InChIKey of 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine?
The InChIKey is VMQGJESLTCJZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3N3O/c10-5-3-1-2-4-6(5)16-8-7(11)14-15-9(12)13-8/h1-4H.
What are the key properties of 3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine?
3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine has a molecular weight of 276.51 g/mol, XLogP of 3.62, 2 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-chlorophenoxy)-1,2,4-triazine is sourced from PubChem (CID 81036257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).