2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid

C6H6N4O3S — CID 114351906

IUPAC2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid
SMILESO=C(O)COCc1nn2cnnc2s1
InChIInChI=1S/C6H6N4O3S/c11-5(12)2-13-1-4-9-10-3-7-8-6(10)14-4/h3H,1-2H2,(H,11,12)
InChIKeyFGRKQGIPGNEHRR-UHFFFAOYSA-N
MW214.21 g/mol
LogP-0.21
Rot. Bonds4

About 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid

2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid (PubChem CID 114351906) has the molecular formula C6H6N4O3S and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid
PubChem CID114351906
Molecular FormulaC6H6N4O3S
Molecular Weight214.21 g/mol
Exact Mass214.02
IUPAC Name2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid
SMILESO=C(O)COCc1nn2cnnc2s1
InChIInChI=1S/C6H6N4O3S/c11-5(12)2-13-1-4-9-10-3-7-8-6(10)14-4/h3H,1-2H2,(H,11,12)
InChIKeyFGRKQGIPGNEHRR-UHFFFAOYSA-N
XLogP-0.21
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenoxy]acetic acid
CID 91678950
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 62696237
phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
CID 110401742
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
CID 52983646
2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
CID 110401669
2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
CID 114352229
N-tert-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385681
N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385699
2,2-diphenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]acetamide
CID 110401523
2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401691
3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401733
N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385766

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid?
The IUPAC name of 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid (CID 114351906) is 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid?
The canonical SMILES for 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid is O=C(O)COCc1nn2cnnc2s1.
What is the InChIKey of 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid?
The InChIKey is FGRKQGIPGNEHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3S/c11-5(12)2-13-1-4-9-10-3-7-8-6(10)14-4/h3H,1-2H2,(H,11,12).
What are the key properties of 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid?
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid has a molecular weight of 214.21 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid is sourced from PubChem (CID 114351906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).