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63666-11-5 | Ethyl 5-amino-1H-1,2,4-triazole-3-carboxylate
CAS No: 63666-11-5 Catalog No: AG0038KI MDL No:MFCD00186115
Product Description
Catalog Number:
AG0038KI
Chemical Name:
Ethyl 5-amino-1H-1,2,4-triazole-3-carboxylate
CAS Number:
63666-11-5
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
MDL Number:
MFCD00186115
IUPAC Name:
ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate
InChI:
InChI=1S/C5H8N4O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H3,6,7,8,9)
InChI Key:
MLVNUTAJXZZPCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc([nH]1)N
NSC Number:
148474
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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