ethyl 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride

ethyl 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride

CAS: 1187830-58-5

Formula: C8H13ClN4O2

SMILES: Cl.CCOC(=O)C1=NN=C2CNCCN12

IUPAC: ethyl 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride

InChI: InChI=1S/C8H12N4O2.ClH/c1-2-14-8(13)7-11-10-6-5-9-3-4-12(6)7;/h9H,2-5H2,1H3;1H

Composition: C (41.30%), H (5.63%), Cl (15.24%), N (24.08%), O (13.75%)

Molar Mass: 232.67

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.0727034
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WRWXUFNXPWYDFN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.98
Topological Polar Surface Area	69.04
Polarizability	18.86
Ring Count	2
Rotatable Bond Count	3

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