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

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

CAS: 1159542-70-7

Formula: C13H16N4

SMILES: C(CC1=CC=CC=C1)C1=NN=C2CNCCN12

IUPAC: 3-(2-phenylethyl)-5H,6H,7H,8H-[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

Composition: C (68.39%), H (7.06%), N (24.54%)

Molar Mass: 228.299

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.137496531
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PDJWJLMRBWVONZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.5
Topological Polar Surface Area	42.74
Polarizability	25.62
Ring Count	3
Rotatable Bond Count	3

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