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114724-45-7 | 1,2,4-Oxadiazol-3-amine, 5-(1-azabicyclo[2.2.1]hept-3-yl)-
CAS No: 114724-45-7 Catalog No: AG000F4F MDL No:
Product Description
Catalog Number:
AG000F4F
Chemical Name:
1,2,4-Oxadiazol-3-amine, 5-(1-azabicyclo[2.2.1]hept-3-yl)-
CAS Number:
114724-45-7
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
IUPAC Name:
5-(1-azabicyclo[2.2.1]heptan-3-yl)-1,2,4-oxadiazol-3-amine
InChI:
InChI=1S/C8H12N4O/c9-8-10-7(13-11-8)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,9,11)
InChI Key:
XARSDFQMNNNPBL-UHFFFAOYSA-N
SMILES:
Nc1noc(n1)C1CN2CC1CC2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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