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

C13H18N4O3 — CID 81078165

IUPAC5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid
SMILESCOCCCC(Nc1cc(C)cc2ncnn12)C(=O)O
InChIInChI=1S/C13H18N4O3/c1-9-6-11-14-8-15-17(11)12(7-9)16-10(13(18)19)4-3-5-20-2/h6-8,10,16H,3-5H2,1-2H3,(H,18,19)
InChIKeyJCDMIYIFSWOQBH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.33
Rot. Bonds7

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

5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid (PubChem CID 81078165) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid
PubChem CID81078165
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid
SMILESCOCCCC(Nc1cc(C)cc2ncnn12)C(=O)O
InChIInChI=1S/C13H18N4O3/c1-9-6-11-14-8-15-17(11)12(7-9)16-10(13(18)19)4-3-5-20-2/h6-8,10,16H,3-5H2,1-2H3,(H,18,19)
InChIKeyJCDMIYIFSWOQBH-UHFFFAOYSA-N
XLogP1.33
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 104624084
N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 62046630
N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65029049
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
CID 81078172
2-[(3,5-dimethylphenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086194
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 66106462
N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 115744765
2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid
CID 61024854

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid (CID 81078165) is 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid is COCCCC(Nc1cc(C)cc2ncnn12)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid?
The InChIKey is JCDMIYIFSWOQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-6-11-14-8-15-17(11)12(7-9)16-10(13(18)19)4-3-5-20-2/h6-8,10,16H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid?
5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid is sourced from PubChem (CID 81078165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).