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185014-00-0 | [1,2,4]Triazolo[1,5-a]quinolin-2(1H)-one, 3,5,6,7,8,9-hexahydro-
CAS No: 185014-00-0 Catalog No: AG0074QR MDL No:
Product Description
Catalog Number:
AG0074QR
Chemical Name:
[1,2,4]Triazolo[1,5-a]quinolin-2(1H)-one, 3,5,6,7,8,9-hexahydro-
CAS Number:
185014-00-0
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
IUPAC Name:
3,5,6,7,8,9-hexahydro-1H-[1,2,4]triazolo[1,5-a]quinolin-2-one
InChI:
InChI=1S/C10H13N3O/c14-10-11-9-6-5-7-3-1-2-4-8(7)13(9)12-10/h6H,1-5H2,(H2,11,12,14)
InChI Key:
WEZJVPCPQCEXDB-UHFFFAOYSA-N
SMILES:
O=c1[nH]n2c(=CCC3=C2CCCC3)[nH]1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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