methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

CAS: 1458-01-1

Formula: C6H7ClN4O2

SMILES: COC(=O)C1=C(N)N=C(N)C(Cl)=N1

IUPAC: methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

InChI: InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)

Composition: C (35.57%), H (3.48%), Cl (17.50%), N (27.65%), O (15.79%)

Molar Mass: 202.6

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.0257532
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KOOBYHRLTYIPTH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.29
Topological Polar Surface Area	104.12
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	2

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