3-(3-bromophenoxy)-5-methyl-1,2,4-triazine

C10H8BrN3O — CID 53381939

IUPAC3-(3-bromophenoxy)-5-methyl-1,2,4-triazine
SMILESCc1cnnc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H8BrN3O/c1-7-6-12-14-10(13-7)15-9-4-2-3-8(11)5-9/h2-6H,1H3
InChIKeyMMOVUCARGHEHBE-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.73
Rot. Bonds2

About 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine

3-(3-bromophenoxy)-5-methyl-1,2,4-triazine (PubChem CID 53381939) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(3-bromophenoxy)-5-methyl-1,2,4-triazine
PubChem CID53381939
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name3-(3-bromophenoxy)-5-methyl-1,2,4-triazine
SMILESCc1cnnc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H8BrN3O/c1-7-6-12-14-10(13-7)15-9-4-2-3-8(11)5-9/h2-6H,1H3
InChIKeyMMOVUCARGHEHBE-UHFFFAOYSA-N
XLogP2.73
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53381937
CID 53381937
CID 130395972
CID 130395972
CID 53382009
CID 53382009
CID 102714008
CID 102714008
CID 105362318
CID 105362318
CID 105362319
CID 105362319
CID 105362321
CID 105362321
CID 105362323
CID 105362323
CID 107099288
CID 107099288
CID 113707678
CID 113707678
CID 113707681
CID 113707681
CID 113917395
CID 113917395

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine?
The IUPAC name of 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine (CID 53381939) is 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine.
What is the SMILES notation for 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine?
The canonical SMILES for 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine is Cc1cnnc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine?
The InChIKey is MMOVUCARGHEHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c1-7-6-12-14-10(13-7)15-9-4-2-3-8(11)5-9/h2-6H,1H3.
What are the key properties of 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine?
3-(3-bromophenoxy)-5-methyl-1,2,4-triazine has a molecular weight of 266.10 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-5-methyl-1,2,4-triazine is sourced from PubChem (CID 53381939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).