Name: Name:tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
Brand: Angene
SKU: AG01BG1B
Rating: 90 (10 reviews)

tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate

CAS No.:

1788722-27-9

Catalog Number:

AG01BG1B

Molecular Formula:

C13H23N5O2

Molecular Weight:

281.3540

Catalog Number:

AG01BG1B

Chemical Name:

tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate

CAS Number:

1788722-27-9

Molecular Formula:

C13H23N5O2

Molecular Weight:

281.3540

MDL Number:

MFCD28125034

IUPAC Name:

tert-butyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate

InChI:

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

InChI Key:

XQLUBYAEDRIRFL-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)c1nn(c(n1)N)C)OC(C)(C)C

Complexity:

349

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:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1