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2D Structure

4-Amino-4H-1,2,4-triazole


  • SKU Code: CH142057
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Chemical Name - 4-Amino-4H-1,2,4-triazole
Mol Weight - 84.0818
Smiles - Nn1cnnc1
InChI - FMCUPJKTGNBGEC-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2
Property Name Property Value
Mol Name4-Amino-4H-1,2,4-triazole
Molweight84.0818
Monoisotopic Mass84.043596
Clogp-0.548
Clogs-2.95
H Acceptors4
H Donors1
Total Surface Area68.5
Relative Psa0.6435
Polar Surface Area56.73
Druglikeness0.096557
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Complexity0.64864
Fragments1
Non H Atoms6
Non Ch Atoms4
Electronegative Atoms4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms1
Symmetric Atoms2
Aromatic Nitrogens3
SmilesNn1cnnc1
InChIKeyInChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2
InChIFMCUPJKTGNBGEC-UHFFFAOYSA-N

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