Home Other Building Blocks 4H-1,2,4-triazole-3-carboximidamide, acetic acid

4H-1,2,4-triazole-3-carboximidamide, acetic acid

CAS No.:
1803591-89-0
Catalog Number:
AG01BD6Q
Molecular Formula:
C5H9N5O2
Molecular Weight:
171.1573
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Product Description
Catalog Number:
AG01BD6Q
Chemical Name:
4H-1,2,4-triazole-3-carboximidamide, acetic acid
CAS Number:
1803591-89-0
Molecular Formula:
C5H9N5O2
Molecular Weight:
171.1573
MDL Number:
MFCD28012416
IUPAC Name:
acetic acid;1H-1,2,4-triazole-5-carboximidamide
InChI:
InChI=1S/C3H5N5.C2H4O2/c4-2(5)3-6-1-7-8-3;1-2(3)4/h1H,(H3,4,5)(H,6,7,8);1H3,(H,3,4)
InChI Key:
XXFXUTIUCOALSQ-UHFFFAOYSA-N
SMILES:
NC(=N)c1nnc[nH]1.CC(=O)O
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.076g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
171.16g/mol
Monoisotopic Mass:
171.076g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties