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2092670-62-5 | 2-amino-3-{pyrrolo[2,1-f][1,2,4]triazin-5-yl}propanenitrile
CAS No: 2092670-62-5 Catalog No: AG01FLBS MDL No:
Product Description
Catalog Number:
AG01FLBS
Chemical Name:
2-amino-3-{pyrrolo[2,1-f][1,2,4]triazin-5-yl}propanenitrile
CAS Number:
2092670-62-5
IUPAC Name:
2-amino-3-pyrrolo[2,1-f][1,2,4]triazin-5-ylpropanenitrile
InChI:
InChI=1S/C9H9N5/c10-4-8(11)3-7-1-2-14-9(7)5-12-6-13-14/h1-2,5-6,8H,3,11H2
InChI Key:
BRRVQCPPFVONFG-UHFFFAOYSA-N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.206g/mol
Monoisotopic Mass:
187.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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