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1003-35-6 | 3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro-
CAS No: 1003-35-6 Catalog No: AG0001HF MDL No:MFCD00970120
Product Description
Catalog Number:
AG0001HF
Chemical Name:
3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro-
CAS Number:
1003-35-6
Molecular Formula:
C2H4N4O
Molecular Weight:
100.0794
MDL Number:
MFCD00970120
IUPAC Name:
3-amino-1,4-dihydro-1,2,4-triazol-5-one
InChI:
InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
InChI Key:
XOHBRLLZSIGHDE-UHFFFAOYSA-N
SMILES:
Nc1[nH][nH]c(=O)n1
NSC Number:
138436
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.039g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
100.081g/mol
Monoisotopic Mass:
100.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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