2,5-dioxopyrrolidin-1-yl 2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetate

2,5-dioxopyrrolidin-1-yl 2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetate

CAS: 1616668-55-3

Formula: C14H11N5O4

SMILES: O=C(CC1=CC=C(C=C1)C1=NN=CN=N1)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetate

InChI: InChI=1S/C14H11N5O4/c20-11-5-6-12(21)19(11)23-13(22)7-9-1-3-10(4-2-9)14-17-15-8-16-18-14/h1-4,8H,5-7H2

Composition: C (53.68%), H (3.54%), N (22.36%), O (20.43%)

Molar Mass: 313.273

Atom Count: 34

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	313.081103854
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	ORWDYVDDJMYIQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.7
Topological Polar Surface Area	115.24
Polarizability	29.55
Ring Count	3
Rotatable Bond Count	5

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