4-bromo-5-phenyltriazine

C9H6BrN3 — CID 140869690

IUPAC4-bromo-5-phenyltriazine
SMILESBrc1nnncc1-c1ccccc1
InChIInChI=1S/C9H6BrN3/c10-9-8(6-11-13-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyXQBKGCYZIROEKK-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.30
Rot. Bonds1

About 4-bromo-5-phenyltriazine

4-bromo-5-phenyltriazine (PubChem CID 140869690) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 4-bromo-5-phenyltriazine.

Molecular Properties

Compound Name4-bromo-5-phenyltriazine
PubChem CID140869690
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name4-bromo-5-phenyltriazine
SMILESBrc1nnncc1-c1ccccc1
InChIInChI=1S/C9H6BrN3/c10-9-8(6-11-13-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyXQBKGCYZIROEKK-UHFFFAOYSA-N
XLogP2.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromopyridine;4,5-diphenyltriazine
CID 175045379
5-phenyl-4-propan-2-yltriazine
CID 134402600
4-bromo-5-(4-phenylphenyl)pyrimidine
CID 105371256
5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine
CID 166133820
4-anthracen-1-yl-5-phenyltriazine
CID 172686741
5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine
CID 175828130
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
4-(3-phenyl-2-pyridinyl)triazine
CID 171060242
2-bromo-4,5-diphenylpyridine
CID 118667529
4-phenyltriazine-5-carboxylic acid
CID 141099391
cyclodeca[d]triazine
CID 68541333
4-phenyl-7H-pyrrolo[2,3-c]pyridazine
CID 51033832

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-phenyltriazine?
The IUPAC name of 4-bromo-5-phenyltriazine (CID 140869690) is 4-bromo-5-phenyltriazine.
What is the SMILES notation for 4-bromo-5-phenyltriazine?
The canonical SMILES for 4-bromo-5-phenyltriazine is Brc1nnncc1-c1ccccc1.
What is the InChIKey of 4-bromo-5-phenyltriazine?
The InChIKey is XQBKGCYZIROEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c10-9-8(6-11-13-12-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-bromo-5-phenyltriazine?
4-bromo-5-phenyltriazine has a molecular weight of 236.07 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-phenyltriazine is sourced from PubChem (CID 140869690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).