7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C13H9BrN4O2 — CID 84609529

IUPAC7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2nc(C(=O)O)cc(-c3ccc(Br)cc3)n2n1
InChIInChI=1S/C13H9BrN4O2/c1-7-15-13-16-10(12(19)20)6-11(18(13)17-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,19,20)
InChIKeyFMWVTTIZAYOWLB-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.56
Rot. Bonds2

About 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 84609529) has the molecular formula C13H9BrN4O2 and a molecular weight of 333.15 g/mol. Its IUPAC name is 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID84609529
Molecular FormulaC13H9BrN4O2
Molecular Weight333.15 g/mol
Exact Mass331.99
IUPAC Name7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2nc(C(=O)O)cc(-c3ccc(Br)cc3)n2n1
InChIInChI=1S/C13H9BrN4O2/c1-7-15-13-16-10(12(19)20)6-11(18(13)17-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,19,20)
InChIKeyFMWVTTIZAYOWLB-UHFFFAOYSA-N
XLogP2.56
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84679300
7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84683520
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84609302
2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 625431
4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085818
5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 135267865
2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 28823008
11-(4-bromophenyl)-4,8-dimethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496373
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 84609529) is 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1nc2nc(C(=O)O)cc(-c3ccc(Br)cc3)n2n1.
What is the InChIKey of 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is FMWVTTIZAYOWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O2/c1-7-15-13-16-10(12(19)20)6-11(18(13)17-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,19,20).
What are the key properties of 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 333.15 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84609529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).