Name: Name:tert-butyl 3-amino-1H-1,2,4-triazole-1-carboxylate
Brand: Angene
SKU: AG01AD6X
Rating: 90 (10 reviews)

tert-butyl 3-amino-1H-1,2,4-triazole-1-carboxylate

CAS No.:

1803592-84-8

Catalog Number:

AG01AD6X

Molecular Formula:

C7H12N4O2

Molecular Weight:

184.1958

Catalog Number:

AG01AD6X

Chemical Name:

tert-butyl 3-amino-1H-1,2,4-triazole-1-carboxylate

CAS Number:

1803592-84-8

Molecular Formula:

C7H12N4O2

Molecular Weight:

184.1958

MDL Number:

MFCD26936279

IUPAC Name:

tert-butyl 3-amino-1,2,4-triazole-1-carboxylate

InChI:

InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)11-4-9-5(8)10-11/h4H,1-3H3,(H2,8,10)

InChI Key:

FJXSRCUWKNZLHE-UHFFFAOYSA-N

SMILES:

O=C(n1cnc(n1)N)OC(C)(C)C

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.199g/mol

Monoisotopic Mass:

184.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9