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1260740-36-0 | 1H-Pyrazole-4-carbonitrile, 5-amino-1-methyl-3-(5-methyl-3-isoxazolyl)-
CAS No: 1260740-36-0 Catalog No: AG000R2Z MDL No:
Product Description
Catalog Number:
AG000R2Z
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-1-methyl-3-(5-methyl-3-isoxazolyl)-
CAS Number:
1260740-36-0
Molecular Formula:
C9H9N5O
Molecular Weight:
203.2007
IUPAC Name:
5-amino-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C9H9N5O/c1-5-3-7(13-15-5)8-6(4-10)9(11)14(2)12-8/h3H,11H2,1-2H3
InChI Key:
OXSVHCZVQQHOLA-UHFFFAOYSA-N
SMILES:
N#Cc1c(nn(c1N)C)c1noc(c1)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.205g/mol
Monoisotopic Mass:
203.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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