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70296-91-2 | 3,5-DIAMINO-6-CYANO-PYRAZINECARBOXYLIC ACID METHYL ESTER
CAS No: 70296-91-2 Catalog No: AG005JW9 MDL No:
Product Description
Catalog Number:
AG005JW9
Chemical Name:
3,5-DIAMINO-6-CYANO-PYRAZINECARBOXYLIC ACID METHYL ESTER
CAS Number:
70296-91-2
Molecular Formula:
C7H7N5O2
Molecular Weight:
193.1628
IUPAC Name:
methyl 3,5-diamino-6-cyanopyrazine-2-carboxylate
InChI:
InChI=1S/C7H7N5O2/c1-14-7(13)4-6(10)12-5(9)3(2-8)11-4/h1H3,(H4,9,10,12)
InChI Key:
DSRGOGFYFTWCRT-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(C#N)c(nc1N)N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.166g/mol
Monoisotopic Mass:
193.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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