Name: Name:tert-butyl 4-[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylate
Brand: Angene
SKU: AG01EJFD
Rating: 90 (10 reviews)

tert-butyl 4-[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylate

CAS No.:

1546114-32-2

Catalog Number:

AG01EJFD

Molecular Formula:

C13H23N5O2

Molecular Weight:

281.3540

Catalog Number:

AG01EJFD

Chemical Name:

tert-butyl 4-[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylate

CAS Number:

1546114-32-2

Molecular Formula:

C13H23N5O2

Molecular Weight:

281.3540

MDL Number:

MFCD29763485

IUPAC Name:

tert-butyl 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate

InChI:

InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18-6-4-9(5-7-18)11-15-10(8-14)16-17-11/h9H,4-8,14H2,1-3H3,(H,15,16,17)

InChI Key:

GJQOUBFXUZYQCM-UHFFFAOYSA-N

SMILES:

NCc1nc([nH]n1)C1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.185g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.36g/mol

Monoisotopic Mass:

281.185g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3