Name: Name:ethyl 3-(1-amino-3-methylbutyl)-1H-1,2,4-triazole-5-carboxylate
Brand: Angene
SKU: AG01BFLC
Rating: 90 (10 reviews)

ethyl 3-(1-amino-3-methylbutyl)-1H-1,2,4-triazole-5-carboxylate

CAS No.:

1539914-53-8

Catalog Number:

AG01BFLC

Molecular Formula:

C10H18N4O2

Molecular Weight:

226.2755

Catalog Number:

AG01BFLC

Chemical Name:

ethyl 3-(1-amino-3-methylbutyl)-1H-1,2,4-triazole-5-carboxylate

CAS Number:

1539914-53-8

Molecular Formula:

C10H18N4O2

Molecular Weight:

226.2755

MDL Number:

MFCD21741007

IUPAC Name:

ethyl 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C10H18N4O2/c1-4-16-10(15)9-12-8(13-14-9)7(11)5-6(2)3/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)

InChI Key:

NEGRNXARMXLAPK-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1[nH]nc(n1)C(CC(C)C)N

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.143g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.28g/mol

Monoisotopic Mass:

226.143g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2