3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine

C16H12BrN3O — CID 156613211

IUPAC3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnc(-c3cccc(Br)c3)nn2)cc1
InChIInChI=1S/C16H12BrN3O/c1-21-14-7-5-11(6-8-14)15-10-18-16(20-19-15)12-3-2-4-13(17)9-12/h2-10H,1H3
InChIKeyYCFNFUDRHZODRR-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.98
Rot. Bonds3

About 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine

3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine (PubChem CID 156613211) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
PubChem CID156613211
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnc(-c3cccc(Br)c3)nn2)cc1
InChIInChI=1S/C16H12BrN3O/c1-21-14-7-5-11(6-8-14)15-10-18-16(20-19-15)12-3-2-4-13(17)9-12/h2-10H,1H3
InChIKeyYCFNFUDRHZODRR-UHFFFAOYSA-N
XLogP3.98
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
CID 171920546
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154
4-(3-bromophenyl)-1,2-dimethoxybenzene
CID 83666367
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 71493670
6-methoxy-3-phenylisoquinoline
CID 68806176
1-[6-(3-bromophenyl)-1,2,4-triazin-3-yl]ethanone
CID 82378720
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid
CID 82390734

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine (CID 156613211) is 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine is COc1ccc(-c2cnc(-c3cccc(Br)c3)nn2)cc1.
What is the InChIKey of 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine?
The InChIKey is YCFNFUDRHZODRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-21-14-7-5-11(6-8-14)15-10-18-16(20-19-15)12-3-2-4-13(17)9-12/h2-10H,1H3.
What are the key properties of 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine?
3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine has a molecular weight of 342.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 156613211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).