Name: Name:tert-butyl N-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}carbamate
Brand: Angene
SKU: AG01AKZT
Rating: 90 (10 reviews)

tert-butyl N-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}carbamate

CAS No.:

1352496-36-6

Catalog Number:

AG01AKZT

Molecular Formula:

C13H17N5O2

Molecular Weight:

275.3064

Catalog Number:

AG01AKZT

Chemical Name:

tert-butyl N-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}carbamate

CAS Number:

1352496-36-6

Molecular Formula:

C13H17N5O2

Molecular Weight:

275.3064

MDL Number:

MFCD20441535

IUPAC Name:

tert-butyl N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate

InChI:

InChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)15-8-10-16-11(18-17-10)9-5-4-6-14-7-9/h4-7H,8H2,1-3H3,(H,15,19)(H,16,17,18)

InChI Key:

ZAWMUWLXPLPZLJ-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NCc1nnc([nH]1)c1cccnc1

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.138g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.312g/mol

Monoisotopic Mass:

275.138g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1