3-methyl-1-(5-nitropyridin-2-yl)piperazine

3-methyl-1-(5-nitropyridin-2-yl)piperazine

CAS: 773879-30-4

Formula: C10H14N4O2

SMILES: CC1CN(CCN1)C1=NC=C(C=C1)[N+]([O-])=O

IUPAC: 3-methyl-1-(5-nitropyridin-2-yl)piperazine

InChI: InChI=1/C10H14N4O2/c1-8-7-13(5-4-11-8)10-3-2-9(6-12-10)14(15)16/h2-3,6,8,11H,4-5,7H2,1H3

Composition: C (54.04%), H (6.35%), N (25.21%), O (14.40%)

Molar Mass: 222.248

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	222.111675707
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XYMPRRMVLJQEAW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.14
Topological Polar Surface Area	71.3
Polarizability	22.47
Ring Count	2
Rotatable Bond Count	2

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