2,5-dioxopyrrolidin-1-yl 2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate

2,5-dioxopyrrolidin-1-yl 2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate

CAS: 1644644-96-1

Formula: C15H13N5O4

SMILES: CC1=NN=C(N=N1)C1=CC=C(CC(=O)ON2C(=O)CCC2=O)C=C1

IUPAC: 2,5-dioxopyrrolidin-1-yl 2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate

InChI: InChI=1S/C15H13N5O4/c1-9-16-18-15(19-17-9)11-4-2-10(3-5-11)8-14(23)24-20-12(21)6-7-13(20)22/h2-5H,6-8H2,1H3

Composition: C (55.05%), H (4.00%), N (21.40%), O (19.55%)

Molar Mass: 327.3

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	327.096753919
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	BIHJLZOOHNOUCG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.32
Topological Polar Surface Area	115.24
Polarizability	31.3
Ring Count	3
Rotatable Bond Count	5

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