3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide

3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide

CAS: 1154-25-2

Formula: C11H18ClN7O

SMILES: CCN(C(C)C)C1=C(Cl)N=C(C(=O)NC(N)=N)C(N)=N1

IUPAC: 3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide

InChI: InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)

Composition: C (44.08%), H (6.05%), Cl (11.83%), N (32.71%), O (5.34%)

Molar Mass: 299.76

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.1261359
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	QDERNBXNXJCIQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.83
Topological Polar Surface Area	134.01
Polarizability	28.64
Ring Count	1
Rotatable Bond Count	4

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99.73%	<7 Days	1154-25-2		$46.75-$420.75$46.75$74.80$261.80$420.75