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

C10H12N4O2 — CID 116989744

IUPAC3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
SMILESCc1ccn2nc(C(N)CC(=O)O)nc2c1
InChIInChI=1S/C10H12N4O2/c1-6-2-3-14-8(4-6)12-10(13-14)7(11)5-9(15)16/h2-4,7H,5,11H2,1H3,(H,15,16)
InChIKeyMEFLPOQSOYLXFT-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.51
Rot. Bonds3

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

3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid (PubChem CID 116989744) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
PubChem CID116989744
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
SMILESCc1ccn2nc(C(N)CC(=O)O)nc2c1
InChIInChI=1S/C10H12N4O2/c1-6-2-3-14-8(4-6)12-10(13-14)7(11)5-9(15)16/h2-4,7H,5,11H2,1H3,(H,15,16)
InChIKeyMEFLPOQSOYLXFT-UHFFFAOYSA-N
XLogP0.51
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989763
3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83841113
3-amino-3-(5-methylpyrazolo[1,5-a]pyridin-3-yl)propanoic acid
CID 83836931
3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
CID 116989772
3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989392
methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
CID 116989727
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
2-(methoxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171439840
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116990013

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid (CID 116989744) is 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid is Cc1ccn2nc(C(N)CC(=O)O)nc2c1.
What is the InChIKey of 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The InChIKey is MEFLPOQSOYLXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-2-3-14-8(4-6)12-10(13-14)7(11)5-9(15)16/h2-4,7H,5,11H2,1H3,(H,15,16).
What are the key properties of 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 116989744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).