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

C12H16N4O2 — CID 81065472

IUPAC3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
SMILESCc1cc(NCC(C)CC(=O)O)n2ncnc2c1
InChIInChI=1S/C12H16N4O2/c1-8-3-10(13-6-9(2)5-12(17)18)16-11(4-8)14-7-15-16/h3-4,7,9,13H,5-6H2,1-2H3,(H,17,18)
InChIKeyJFPGPWLCGUKZSA-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.56
Rot. Bonds5

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

3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid (PubChem CID 81065472) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
PubChem CID81065472
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
SMILESCc1cc(NCC(C)CC(=O)O)n2ncnc2c1
InChIInChI=1S/C12H16N4O2/c1-8-3-10(13-6-9(2)5-12(17)18)16-11(4-8)14-7-15-16/h3-4,7,9,13H,5-6H2,1-2H3,(H,17,18)
InChIKeyJFPGPWLCGUKZSA-UHFFFAOYSA-N
XLogP1.56
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid (CID 81065472) is 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid is Cc1cc(NCC(C)CC(=O)O)n2ncnc2c1.
What is the InChIKey of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid?
The InChIKey is JFPGPWLCGUKZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-3-10(13-6-9(2)5-12(17)18)16-11(4-8)14-7-15-16/h3-4,7,9,13H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid?
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid has a molecular weight of 248.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid is sourced from PubChem (CID 81065472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).