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2-(1H-1,2,4-triazol-3-yl)pyrazine

2-(1H-1,2,4-triazol-3-yl)pyrazine

CAS: 130612-31-6

Formula: C6H5N5

SMILES: N1C=NC(=N1)C1=NC=CN=C1

IUPAC: 2-(1H-1,2,4-triazol-3-yl)pyrazine

InChI: InChI=1S/C6H5N5/c1-2-8-5(3-7-1)6-9-4-10-11-6/h1-4H,(H,9,10,11)

Composition: C (48.98%), H (3.43%), N (47.60%)

Molar Mass: 147.141

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 147.054495181
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UVERQPQFEHVFEB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.64
Topological Polar Surface Area 67.35
Polarizability 14.77
Ring Count 2
Rotatable Bond Count 1

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