Name: Name:tert-butyl N-[2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate
Brand: Angene
SKU: AG01A6NY
Rating: 90 (10 reviews)

tert-butyl N-[2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate

CAS No.:

1461715-43-4

Catalog Number:

AG01A6NY

Molecular Formula:

C16H22N4O2

Molecular Weight:

302.3715

Catalog Number:

AG01A6NY

Chemical Name:

tert-butyl N-[2-(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate

CAS Number:

1461715-43-4

Molecular Formula:

C16H22N4O2

Molecular Weight:

302.3715

MDL Number:

MFCD25970369

IUPAC Name:

tert-butyl N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]carbamate

InChI:

InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)17-11-10-13-18-19-14(20(13)4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)

InChI Key:

NUMZVDFOFFPBSW-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NCCc1nnc(n1C)c1ccccc1

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.378g/mol

Monoisotopic Mass:

302.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1