tert-butyl N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamate

tert-butyl N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamate

CAS: 1380500-86-6

Formula: C15H19N5O2

SMILES: CC1=NN=C(N=N1)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1

IUPAC: tert-butyl N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamate

InChI: InChI=1S/C15H19N5O2/c1-10-17-19-13(20-18-10)12-7-5-11(6-8-12)9-16-14(21)22-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,21)

Composition: C (59.79%), H (6.36%), N (23.24%), O (10.62%)

Molar Mass: 301.35

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.153874872
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZKCNBDFBCVJXDK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.81
Topological Polar Surface Area	89.89
Polarizability	31.79
Ring Count	2
Rotatable Bond Count	5

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