Name: Name:3-(2-phenylethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
Brand: Angene
SKU: AG01ADYY
Rating: 90 (10 reviews)

3-(2-phenylethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

CAS No.:

1159542-70-7

Catalog Number:

AG01ADYY

Molecular Formula:

C13H16N4

Molecular Weight:

228.2929

Catalog Number:

AG01ADYY

Chemical Name:

3-(2-phenylethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

CAS Number:

1159542-70-7

Molecular Formula:

C13H16N4

Molecular Weight:

228.2929

MDL Number:

MFCD11856677

IUPAC Name:

3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

InChI:

InChI=1S/C13H16N4/c1-2-4-11(5-3-1)6-7-12-15-16-13-10-14-8-9-17(12)13/h1-5,14H,6-10H2

InChI Key:

PDJWJLMRBWVONZ-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)CCc1nnc2n1CCNC2

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.299g/mol

Monoisotopic Mass:

228.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8