Name: Name:tert-butyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate
Brand: Angene
SKU: AG01C4TO
Rating: 90 (10 reviews)

tert-butyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate

CAS No.:

1247788-39-1

Catalog Number:

AG01C4TO

Molecular Formula:

C8H14N4O2

Molecular Weight:

198.2224

Catalog Number:

AG01C4TO

Chemical Name:

tert-butyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate

CAS Number:

1247788-39-1

Molecular Formula:

C8H14N4O2

Molecular Weight:

198.2224

MDL Number:

MFCD14622188

IUPAC Name:

tert-butyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

InChI:

InChI=1S/C8H14N4O2/c1-8(2,3)14-6(13)4-12-5-10-7(9)11-12/h5H,4H2,1-3H3,(H2,9,11)

InChI Key:

JRPAVIYBSOELDJ-UHFFFAOYSA-N

SMILES:

O=C(Cn1cnc(n1)N)OC(C)(C)C

Complexity:

214

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.226g/mol

Monoisotopic Mass:

198.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7