3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C15H13N3O2 — CID 62390046

IUPAC3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1ccc(Cc2nnc3ccc(C(=O)O)cn23)cc1
InChIInChI=1S/C15H13N3O2/c1-10-2-4-11(5-3-10)8-14-17-16-13-7-6-12(15(19)20)9-18(13)14/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyLQEVQCUXRHDYID-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.33
Rot. Bonds3

About 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 62390046) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID62390046
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1ccc(Cc2nnc3ccc(C(=O)O)cn23)cc1
InChIInChI=1S/C15H13N3O2/c1-10-2-4-11(5-3-10)8-14-17-16-13-7-6-12(15(19)20)9-18(13)14/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyLQEVQCUXRHDYID-UHFFFAOYSA-N
XLogP2.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389874
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388791
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139685
3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387950
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
3-octyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65427572
3-heptyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55068173
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 84614323
3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257215
3-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799949

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 62390046) is 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is Cc1ccc(Cc2nnc3ccc(C(=O)O)cn23)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is LQEVQCUXRHDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-2-4-11(5-3-10)8-14-17-16-13-7-6-12(15(19)20)9-18(13)14/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 62390046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).