Name: Name:2-amino-N,3-dimethyl-N-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}butanamide
Brand: Angene
SKU: AG01BGFN
Rating: 90 (10 reviews)

2-amino-N,3-dimethyl-N-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}butanamide

CAS No.:

1218462-71-5

Catalog Number:

AG01BGFN

Molecular Formula:

C12H21N5O

Molecular Weight:

251.3280

Catalog Number:

AG01BGFN

Chemical Name:

2-amino-N,3-dimethyl-N-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}butanamide

CAS Number:

1218462-71-5

Molecular Formula:

C12H21N5O

Molecular Weight:

251.3280

MDL Number:

MFCD12885232

IUPAC Name:

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

InChI:

InChI=1S/C12H21N5O/c1-8(2)11(13)12(18)16(3)7-10-15-14-9-5-4-6-17(9)10/h8,11H,4-7,13H2,1-3H3

InChI Key:

JBWPHGXNSYDZKO-UHFFFAOYSA-N

SMILES:

CC(C(C(=O)N(Cc1nnc2n1CCC2)C)N)C

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.175g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.334g/mol

Monoisotopic Mass:

251.175g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4