2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid

C12H16N4O2S — CID 62850363

IUPAC2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
SMILESCC(N)(CCCSc1nnc2ccccn12)C(=O)O
InChIInChI=1S/C12H16N4O2S/c1-12(13,10(17)18)6-4-8-19-11-15-14-9-5-2-3-7-16(9)11/h2-3,5,7H,4,6,8,13H2,1H3,(H,17,18)
InChIKeyRDWGYEMHOOZMNE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.40
Rot. Bonds6

About 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid

2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid (PubChem CID 62850363) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
PubChem CID62850363
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
SMILESCC(N)(CCCSc1nnc2ccccn12)C(=O)O
InChIInChI=1S/C12H16N4O2S/c1-12(13,10(17)18)6-4-8-19-11-15-14-9-5-2-3-7-16(9)11/h2-3,5,7H,4,6,8,13H2,1H3,(H,17,18)
InChIKeyRDWGYEMHOOZMNE-UHFFFAOYSA-N
XLogP1.40
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)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

2-methyl-2-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentan-1-ol
CID 64808604
2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 62848602
2-amino-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 62850185
N'-hydroxy-2,2-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 77062459
2-(cyclopropylamino)-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 62848949
N'-hydroxy-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 55126543
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151
2-methyl-2-(methylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 62851071
2-(cyclopropylamino)-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 62850901
3-(3-bromo-2,2-dimethylpropyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 65000023
N-propan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine
CID 62848594
5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
CID 60626204

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid (CID 62850363) is 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid is CC(N)(CCCSc1nnc2ccccn12)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The InChIKey is RDWGYEMHOOZMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-12(13,10(17)18)6-4-8-19-11-15-14-9-5-2-3-7-16(9)11/h2-3,5,7H,4,6,8,13H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid has a molecular weight of 280.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 62850363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).