3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid

C10H12N4O2S — CID 103551589

IUPAC3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid
SMILESCc1nnc2sc(C3CCC(C(=O)O)C3)nn12
InChIInChI=1S/C10H12N4O2S/c1-5-11-12-10-14(5)13-8(17-10)6-2-3-7(4-6)9(15)16/h6-7H,2-4H2,1H3,(H,15,16)
InChIKeyQJYYAKZGWGOGCL-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.46
Rot. Bonds2

About 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551589) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid
PubChem CID103551589
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid
SMILESCc1nnc2sc(C3CCC(C(=O)O)C3)nn12
InChIInChI=1S/C10H12N4O2S/c1-5-11-12-10-14(5)13-8(17-10)6-2-3-7(4-6)9(15)16/h6-7H,2-4H2,1H3,(H,15,16)
InChIKeyQJYYAKZGWGOGCL-UHFFFAOYSA-N
XLogP1.46
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid (CID 103551589) is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid is Cc1nnc2sc(C3CCC(C(=O)O)C3)nn12.
What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid?
The InChIKey is QJYYAKZGWGOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-5-11-12-10-14(5)13-8(17-10)6-2-3-7(4-6)9(15)16/h6-7H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid?
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid has a molecular weight of 252.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).