2-amino-5-(4-methylpiperazin-1-yl)benzonitrile

2-amino-5-(4-methylpiperazin-1-yl)benzonitrile

Formula: C12H16N4

SMILES: CN1CCN(CC1)C1=CC(C#N)=C(N)C=C1

IUPAC: 2-amino-5-(4-methylpiperazin-1-yl)benzonitrile

InChI: InChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)11-2-3-12(14)10(8-11)9-13/h2-3,8H,4-7,14H2,1H3

Composition: C (66.64%), H (7.46%), N (25.90%)

Molar Mass: 216.288

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.137496531
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CKXHEDCNNBQWSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.96
Topological Polar Surface Area	56.29
Polarizability	24.44
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H16N4		Quote Only