CC1=NNN=N1
CAS: 4076-36-2
Name: 5-methyl-2H-tetrazole
SMILES: CC1=NNN=N1

Molecular Processing

Molecular formula
C2H4N4
Molecular weight
84.08
Exact mass
84.0436
XLogP
-0.49
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
6
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
18.91

Supplementary Information

InChIKey: XZGLNCKSNVGDNX-UHFFFAOYSA-N
Synonyme
5-methyl-2H-tetrazole5-METHYL-1H-1,2,3,4-TETRAZOLEXZGLNCKSNVGDNX-UHFFFAOYSA-RefChem:537059609-862-8InChI=1/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)4076-36-25-Methyltetrazole5-Methyl-1H-tetrazole5-Methyl tetrazole5-Methyl-1H-TertazoleTetrazole, 5-methyl-1H-Tetrazole, 5-methyl-2H-Tetrazole, 5-methyl-MFCD00129971G22VBQ3QPYNSC-111365-methyl-1H-1,2,3,4-tetraazoleMethyltetrazoleNSC11136XJM51855-49-35-methyl-1h tetrazole5-Methyl-IH-tetrazoleUNII-G22VBQ3QPY5-Methyl-1H-tetraazole #SCHEMBL32173SCHEMBL73859SCHEMBL219264SCHEMBL219265
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