2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid

C12H15N3O3S — CID 82056457

IUPAC2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid
SMILESCC(C)COc1cccn2c(SCC(=O)O)nnc12
InChIInChI=1S/C12H15N3O3S/c1-8(2)6-18-9-4-3-5-15-11(9)13-14-12(15)19-7-10(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyPUTHZSBVFSRWDK-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.94
Rot. Bonds6

About 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid

2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid (PubChem CID 82056457) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid
PubChem CID82056457
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid
SMILESCC(C)COc1cccn2c(SCC(=O)O)nnc12
InChIInChI=1S/C12H15N3O3S/c1-8(2)6-18-9-4-3-5-15-11(9)13-14-12(15)19-7-10(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyPUTHZSBVFSRWDK-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic 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-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid
CID 2476033
2-[[4-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29065222
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 39398041
2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075244
2-[[5-amino-4-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64572602
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
2-[[5-methyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43149445
2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055736
N,N-bis(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 44774984
2-[[4-[2-(difluoromethoxy)phenyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43329091
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 103224283

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid (CID 82056457) is 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid is CC(C)COc1cccn2c(SCC(=O)O)nnc12.
What is the InChIKey of 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid?
The InChIKey is PUTHZSBVFSRWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8(2)6-18-9-4-3-5-15-11(9)13-14-12(15)19-7-10(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid?
2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid has a molecular weight of 281.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid is sourced from PubChem (CID 82056457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).