Name: Name:4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}aniline
Brand: Angene
SKU: AG01B16E
Rating: 90 (10 reviews)

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

CAS No.:

1094285-37-6

Catalog Number:

AG01B16E

Molecular Formula:

C12H14N4

Molecular Weight:

214.2664

Catalog Number:

AG01B16E

Chemical Name:

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

CAS Number:

1094285-37-6

Molecular Formula:

C12H14N4

Molecular Weight:

214.2664

MDL Number:

MFCD11181265

IUPAC Name:

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

InChI:

InChI=1S/C12H14N4/c13-10-5-3-9(4-6-10)8-12-15-14-11-2-1-7-16(11)12/h3-6H,1-2,7-8,13H2

InChI Key:

VBLDRPOXHLUDBE-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)Cc1nnc2n1CCC2

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.272g/mol

Monoisotopic Mass:

214.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1