3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid

C15H14N4O2 — CID 60893887

IUPAC3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid
SMILESCc1cc(NCc2cccc(C(=O)O)c2)n2ncnc2c1
InChIInChI=1S/C15H14N4O2/c1-10-5-13(19-14(6-10)17-9-18-19)16-8-11-3-2-4-12(7-11)15(20)21/h2-7,9,16H,8H2,1H3,(H,20,21)
InChIKeyIRWWLVZMHBFISB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.35
Rot. Bonds4

About 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid

3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid (PubChem CID 60893887) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid
PubChem CID60893887
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid
SMILESCc1cc(NCc2cccc(C(=O)O)c2)n2ncnc2c1
InChIInChI=1S/C15H14N4O2/c1-10-5-13(19-14(6-10)17-9-18-19)16-8-11-3-2-4-12(7-11)15(20)21/h2-7,9,16H,8H2,1H3,(H,20,21)
InChIKeyIRWWLVZMHBFISB-UHFFFAOYSA-N
XLogP2.35
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid with MolForge

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Related Compounds

7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 54942729
7-methyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43232785
2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid
CID 61024854
1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312155
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
CID 81065472
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]-1-phenylethanol
CID 43232822
N-[(5-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 60744899
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzoic acid
CID 66320083
3-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778315
N-[(1-cyclopropylcyclopropyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103837600
3-[[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]benzoic acid
CID 108778309
2-[2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]ethoxy]acetamide
CID 114162629

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid (CID 60893887) is 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid is Cc1cc(NCc2cccc(C(=O)O)c2)n2ncnc2c1.
What is the InChIKey of 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid?
The InChIKey is IRWWLVZMHBFISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-5-13(19-14(6-10)17-9-18-19)16-8-11-3-2-4-12(7-11)15(20)21/h2-7,9,16H,8H2,1H3,(H,20,21).
What are the key properties of 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid?
3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid is sourced from PubChem (CID 60893887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).