Name: Name:methyl 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetate
Brand: Angene
SKU: AG019WGW
Rating: 90 (10 reviews)

methyl 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetate

CAS No.:

1193387-75-5

Catalog Number:

AG019WGW

Molecular Formula:

C6H6N4O2

Molecular Weight:

166.1374

Catalog Number:

AG019WGW

Chemical Name:

methyl 2-(3-cyano-1H-1,2,4-triazol-1-yl)acetate

CAS Number:

1193387-75-5

Molecular Formula:

C6H6N4O2

Molecular Weight:

166.1374

MDL Number:

MFCD12913035

IUPAC Name:

methyl 2-(3-cyano-1,2,4-triazol-1-yl)acetate

InChI:

InChI=1S/C6H6N4O2/c1-12-6(11)3-10-4-8-5(2-7)9-10/h4H,3H2,1H3

InChI Key:

OGOQHEDOERHVQA-UHFFFAOYSA-N

SMILES:

COC(=O)Cn1cnc(n1)C#N

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.14g/mol

Monoisotopic Mass:

166.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5