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6825-71-4 | Ethyl 3,5-diamino-1h-pyrazole-4-carboxylate
CAS No: 6825-71-4 Catalog No: AG0036LQ MDL No:MFCD04070845
Product Description
Catalog Number:
AG0036LQ
Chemical Name:
Ethyl 3,5-diamino-1h-pyrazole-4-carboxylate
CAS Number:
6825-71-4
Molecular Formula:
C6H10N4O2
Molecular Weight:
170.1692
MDL Number:
MFCD04070845
IUPAC Name:
ethyl 3,5-diamino-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C6H10N4O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H5,7,8,9,10)
InChI Key:
HRAWNPOJGRIJSB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)n[nH]c1N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.172g/mol
Monoisotopic Mass:
170.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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