Name: Name:4-{[(1H-1,2,4-triazol-1-yl)methyl]amino}benzoic acid
Brand: Angene
SKU: AG01B6PE
Rating: 90 (10 reviews)

4-{[(1H-1,2,4-triazol-1-yl)methyl]amino}benzoic acid

CAS No.:

220673-91-6

Catalog Number:

AG01B6PE

Molecular Formula:

C10H10N4O2

Molecular Weight:

218.2120

Catalog Number:

AG01B6PE

Chemical Name:

4-{[(1H-1,2,4-triazol-1-yl)methyl]amino}benzoic acid

CAS Number:

220673-91-6

Molecular Formula:

C10H10N4O2

Molecular Weight:

218.2120

MDL Number:

MFCD24492477

IUPAC Name:

4-(1,2,4-triazol-1-ylmethylamino)benzoic acid

InChI:

InChI=1S/C10H10N4O2/c15-10(16)8-1-3-9(4-2-8)12-7-14-6-11-5-13-14/h1-6,12H,7H2,(H,15,16)

InChI Key:

DCQLASJSUNNOAG-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)NCn1ncnc1

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.216g/mol

Monoisotopic Mass:

218.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2