3-(4-bromophenoxy)-1,2,4-triazine

C9H6BrN3O — CID 83814540

IUPAC3-(4-bromophenoxy)-1,2,4-triazine
SMILESBrc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C9H6BrN3O/c10-7-1-3-8(4-2-7)14-9-11-5-6-12-13-9/h1-6H
InChIKeyVRDQYVCAAHIKPV-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.43
Rot. Bonds2

About 3-(4-bromophenoxy)-1,2,4-triazine

3-(4-bromophenoxy)-1,2,4-triazine (PubChem CID 83814540) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-1,2,4-triazine
PubChem CID83814540
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name3-(4-bromophenoxy)-1,2,4-triazine
SMILESBrc1ccc(Oc2nccnn2)cc1
InChIInChI=1S/C9H6BrN3O/c10-7-1-3-8(4-2-7)14-9-11-5-6-12-13-9/h1-6H
InChIKeyVRDQYVCAAHIKPV-UHFFFAOYSA-N
XLogP2.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62870150
2-(4-Bromo-3-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 65203398
3-(4-Fluorophenoxy)-1,2,4-triazine
CID 132849072
2-(4-Bromophenoxy)-1-methylimidazole
CID 62132552
3-(3-Bromophenoxy)-5-methyl-1,2,4-triazine
CID 53381939
2-(4-Bromophenoxy)-1-ethylimidazole
CID 55209524
2-(4-Bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436
4-(4-Bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80864029
[4-(4-Bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80909898
3-Phenoxy-1,2,4-triazine
CID 132849069
3-(4-Ethylphenoxy)-1,2,4-triazine
CID 132849071

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-1,2,4-triazine?
The IUPAC name of 3-(4-bromophenoxy)-1,2,4-triazine (CID 83814540) is 3-(4-bromophenoxy)-1,2,4-triazine.
What is the SMILES notation for 3-(4-bromophenoxy)-1,2,4-triazine?
The canonical SMILES for 3-(4-bromophenoxy)-1,2,4-triazine is Brc1ccc(Oc2nccnn2)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-1,2,4-triazine?
The InChIKey is VRDQYVCAAHIKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-7-1-3-8(4-2-7)14-9-11-5-6-12-13-9/h1-6H.
What are the key properties of 3-(4-bromophenoxy)-1,2,4-triazine?
3-(4-bromophenoxy)-1,2,4-triazine has a molecular weight of 252.07 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-1,2,4-triazine is sourced from PubChem (CID 83814540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).