Name: Name:ethyl 3-(cyanomethyl)-1H-1,2,4-triazole-5-carboxylate
Brand: Angene
SKU: AG01EJTX
Rating: 90 (10 reviews)

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

CAS No.:

1220096-54-7

Catalog Number:

AG01EJTX

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

Catalog Number:

AG01EJTX

Chemical Name:

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

CAS Number:

1220096-54-7

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

MDL Number:

MFCD31617615

IUPAC Name:

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

InChI:

InChI=1S/C7H8N4O2/c1-2-13-7(12)6-9-5(3-4-8)10-11-6/h2-3H2,1H3,(H,9,10,11)

InChI Key:

QCOCBASJZWLQAJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nc(n[nH]1)CC#N

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.167g/mol

Monoisotopic Mass:

180.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2