Name: Name:1H-Indole-3-acetic acid, 5-(1H-1,2,4-triazol-1-ylmethyl)-
Brand: Angene
SKU: AG00257S
Rating: 90 (10 reviews)

1H-Indole-3-acetic acid, 5-(1H-1,2,4-triazol-1-ylmethyl)-

CAS No.:

177270-91-6

Catalog Number:

AG00257S

Molecular Formula:

C13H12N4O2

Molecular Weight:

256.2600

Catalog Number:

AG00257S

Chemical Name:

1H-Indole-3-acetic acid, 5-(1H-1,2,4-triazol-1-ylmethyl)-

CAS Number:

177270-91-6

Molecular Formula:

C13H12N4O2

Molecular Weight:

256.2600

IUPAC Name:

2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetic acid

InChI:

InChI=1S/C13H12N4O2/c18-13(19)4-10-5-15-12-2-1-9(3-11(10)12)6-17-8-14-7-16-17/h1-3,5,7-8,15H,4,6H2,(H,18,19)

InChI Key:

KACIHDPNKNLLMA-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c[nH]c2c1cc(Cn1cncn1)cc2

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.265g/mol

Monoisotopic Mass:

256.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2