Name: Name:3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
Brand: Angene
SKU: AG01ACQ5
Rating: 90 (10 reviews)

3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS No.:

1250541-35-5

Catalog Number:

AG01ACQ5

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

Catalog Number:

AG01ACQ5

Chemical Name:

3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS Number:

1250541-35-5

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

MDL Number:

MFCD07376857

IUPAC Name:

3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

InChI:

InChI=1S/C11H13N3O2/c1-11(2,3)10-13-12-8-5-4-7(9(15)16)6-14(8)10/h4-6H,1-3H3,(H,15,16)

InChI Key:

PSOVSGGWCPIFAD-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2n(c1)c(nn2)C(C)(C)C

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.244g/mol

Monoisotopic Mass:

219.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4