Name: Name:3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline
Brand: Angene
SKU: AG019KWB
Rating: 90 (10 reviews)

3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline

CAS No.:

949980-60-3

Catalog Number:

AG019KWB

Molecular Formula:

C11H12N4

Molecular Weight:

200.2398

Catalog Number:

AG019KWB

Chemical Name:

3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline

CAS Number:

949980-60-3

Molecular Formula:

C11H12N4

Molecular Weight:

200.2398

MDL Number:

MFCD09802067

IUPAC Name:

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)aniline

InChI:

InChI=1S/C11H12N4/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h1,3-4,7H,2,5-6,12H2

InChI Key:

GJIRFKWMLBFRHV-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)c1nnc2n1CCC2

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.245g/mol

Monoisotopic Mass:

200.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8