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1-[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine

1-[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine

CAS: 1345866-68-3

Formula: C9H9N5

SMILES: NCC1=CC=C(C=C1)C1=NN=CN=N1

IUPAC: 1-[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine

InChI: InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)9-13-11-6-12-14-9/h1-4,6H,5,10H2

Composition: C (57.74%), H (4.85%), N (37.41%)

Molar Mass: 187.206

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 187.08579531
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JGCOJRPYFRRONJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.31
Topological Polar Surface Area 77.58
Polarizability 20.43
Ring Count 2
Rotatable Bond Count 2

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