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139232-64-7 | 2-Pyrrolidinone, 1-[1-(1H-1,2,4-triazol-1-yl)ethyl]-
CAS No: 139232-64-7 Catalog No: AG001AJG MDL No:
Product Description
Catalog Number:
AG001AJG
Chemical Name:
2-Pyrrolidinone, 1-[1-(1H-1,2,4-triazol-1-yl)ethyl]-
CAS Number:
139232-64-7
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
IUPAC Name:
1-[1-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-one
InChI:
InChI=1S/C8H12N4O/c1-7(12-6-9-5-10-12)11-4-2-3-8(11)13/h5-7H,2-4H2,1H3
InChI Key:
BSNKZZRUEAVGBN-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C(n1cncn1)C
Properties
Complexity:
208
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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