Name: Name:2,2,2-trifluoroethyl N-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}carbamate
Brand: Angene
SKU: AG01A9L6
Rating: 90 (10 reviews)

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

CAS No.:

1241245-03-3

Catalog Number:

AG01A9L6

Molecular Formula:

C9H11F3N4O2

Molecular Weight:

264.2044

Catalog Number:

AG01A9L6

Chemical Name:

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

CAS Number:

1241245-03-3

Molecular Formula:

C9H11F3N4O2

Molecular Weight:

264.2044

MDL Number:

MFCD17976980

IUPAC Name:

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

InChI:

InChI=1S/C9H11F3N4O2/c10-9(11,12)5-18-8(17)13-4-7-15-14-6-2-1-3-16(6)7/h1-5H2,(H,13,17)

InChI Key:

FBFGYKVIXSHUAQ-UHFFFAOYSA-N

SMILES:

O=C(NCc1nnc2n1CCC2)OCC(F)(F)F

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.208g/mol

Monoisotopic Mass:

264.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5