2-amino-3-cyano-5-methylpyrazin-1-ium-1-olate

2-amino-3-cyano-5-methylpyrazin-1-ium-1-olate

CAS: 19994-56-0

Formula: C6H6N4O

SMILES: CC1=C[N+]([O-])=C(N)C(=N1)C#N

IUPAC: 2-amino-3-cyano-5-methylpyrazin-1-ium-1-olate

InChI: InChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3H,8H2,1H3

Composition: C (48.00%), H (4.03%), N (37.32%), O (10.66%)

Molar Mass: 150.141

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	150.054160829
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KOUCPATWZNJNLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.95
Topological Polar Surface Area	89.64
Polarizability	13.83
Ring Count	1
Rotatable Bond Count	0

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95%	<7 Days	19994-56-0		$400.55-$2,519.19$400.55$889.07$2,519.19

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