Name: Name:3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Brand: Angene
SKU: AG01A8A7
Rating: 90 (10 reviews)

3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS No.:

1038356-87-4

Catalog Number:

AG01A8A7

Molecular Formula:

C7H7N5O3

Molecular Weight:

209.1622

Catalog Number:

AG01A8A7

Chemical Name:

3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS Number:

1038356-87-4

Molecular Formula:

C7H7N5O3

Molecular Weight:

209.1622

MDL Number:

MFCD11203663

IUPAC Name:

3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

InChI:

InChI=1S/C7H7N5O3/c13-5(14)2-1-4-10-7(12-15-4)6-8-3-9-11-6/h3H,1-2H2,(H,13,14)(H,8,9,11)

InChI Key:

DUIBXJOZTRZEFT-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1nc(no1)c1nnc[nH]1

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.165g/mol

Monoisotopic Mass:

209.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3