CCOC(=O)C1=C(N=CC=C1)N2C(=NN=N2)C
Name: ethyl 2-(5-methyltetrazol-1-yl)pyridine-3-carboxylate
SMILES: CCOC(=O)C1=C(N=CC=C1)N2C(=NN=N2)C

Molecular Processing

Molecular formula
C10H11N5O2
Molecular weight
233.23
Exact mass
233.0913
XLogP
0.54
TPSA
82.79
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
57.64

Supplementary Information

InChIKey: TWSXTXIKUVDTET-UHFFFAOYSA-N
Synonyms
SCHEMBL3353715TWSXTXIKUVDTET-UHFFFAOYSA-Nethyl 2-(5-methyl-1H-tetrazol-1-yl)nicotinateEthyl 2-(5-methyl-1-H-tetrazol-1-yl)nicotinate
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Involved in 29 reactions→

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