5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine

C13H10BrN3 — CID 165473676

IUPAC5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Br)n2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C13H10BrN3/c1-9-7-11(14)17-12(8-9)15-13(16-17)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyXNHCMCYSAVVCNW-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine

5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165473676) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165473676
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Br)n2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C13H10BrN3/c1-9-7-11(14)17-12(8-9)15-13(16-17)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyXNHCMCYSAVVCNW-UHFFFAOYSA-N
XLogP3.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589685
5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165482562
2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18313636
5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133001
2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 12603823
11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
CID 101410343
5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2337721
11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene
CID 101410345
7-(3-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18681588
7,9-dimethyl-2-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine
CID 102471621
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
4-bromo-2,6-diphenylpyrimidine;ethane
CID 142370256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165473676) is 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(Br)n2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XNHCMCYSAVVCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-7-11(14)17-12(8-9)15-13(16-17)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 288.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165473676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).