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842170-56-3 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-methyl-7-(2-propenylamino)-
CAS No: 842170-56-3 Catalog No: AG004Y77 MDL No:
Product Description
Catalog Number:
AG004Y77
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-methyl-7-(2-propenylamino)-
CAS Number:
842170-56-3
Molecular Formula:
C11H11N5
Molecular Weight:
213.2385
IUPAC Name:
5-methyl-7-(prop-2-enylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C11H11N5/c1-3-4-13-10-5-8(2)15-11-9(6-12)7-14-16(10)11/h3,5,7,13H,1,4H2,2H3
InChI Key:
XPBMPFFTIYNYCX-UHFFFAOYSA-N
SMILES:
Cc1cc(NCC=C)n2c(n1)c(cn2)C#N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.244g/mol
Monoisotopic Mass:
213.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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