Chem 3 Amino 124 Triazole Ncc | Cheminformatics
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2D Structure

3 Amino 1,2,4-Triazole


  • SKU Code: CH142056
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Chemical Name - 3 Amino 1,2,4-Triazole
Mol Weight - 84.0818
Smiles - Nc1n[nH]cn1
InChI - KLSJWNVTNUYHDU-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
Property Name Property Value
Mol Name3 Amino 1,2,4-Triazole
Molweight84.0818
Monoisotopic Mass84.043596
Clogp-0.8783
Clogs-0.913
H Acceptors4
H Donors2
Total Surface Area68.87
Relative Psa0.74343
Polar Surface Area67.59
Druglikeness1.7747
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.66667
Molecular Complexity0.69315
Fragments1
Non H Atoms6
Non Ch Atoms4
Electronegative Atoms4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Aromatic Nitrogens3
Basic Nitrogens1
SmilesNc1n[nH]cn1
InChIKeyInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKLSJWNVTNUYHDU-UHFFFAOYSA-N

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