5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C14H11N3O2 — CID 82565609

IUPAC5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccc(C(=O)O)c2nc(-c3ccccc3)nn12
InChIInChI=1S/C14H11N3O2/c1-9-7-8-11(14(18)19)13-15-12(16-17(9)13)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeyTVPQUNTTXQSBIN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds2

About 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565609) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565609
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccc(C(=O)O)c2nc(-c3ccccc3)nn12
InChIInChI=1S/C14H11N3O2/c1-9-7-8-11(14(18)19)13-15-12(16-17(9)13)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeyTVPQUNTTXQSBIN-UHFFFAOYSA-N
XLogP2.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565759
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565686
2-(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565577
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127909
1-[5-[4-(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazol-1-yl]ethanone
CID 118927380
8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 136815157
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565609) is 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Cc1ccc(C(=O)O)c2nc(-c3ccccc3)nn12.
What is the InChIKey of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is TVPQUNTTXQSBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-7-8-11(14(18)19)13-15-12(16-17(9)13)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19).
What are the key properties of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).