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Home > Other Heterocycles > 1253527-92-2
1253527-92-2 | 2'-(furan-2-yl)-6'-methyl-5',6'-dihydro-4'H-spiro[cycloheptane-1,7'-pyrazolo[1,5-d][1,2,4]triazine]-4'-one
CAS No: 1253527-92-2 Catalog No: AG00JWGE MDL No:MFCD17168367
Product Description
Catalog Number:
AG00JWGE
Chemical Name:
2'-(furan-2-yl)-6'-methyl-5',6'-dihydro-4'H-spiro[cycloheptane-1,7'-pyrazolo[1,5-d][1,2,4]triazine]-4'-one
CAS Number:
1253527-92-2
Molecular Formula:
C16H20N4O2
Molecular Weight:
300.3556
MDL Number:
MFCD17168367
IUPAC Name:
2-(furan-2-yl)-6-methylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cycloheptane]-4-one
InChI:
InChI=1S/C16H20N4O2/c1-19-16(8-4-2-3-5-9-16)20-13(15(21)18-19)11-12(17-20)14-7-6-10-22-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)
InChI Key:
XODAAHYDAVHQRK-UHFFFAOYSA-N
SMILES:
CN1NC(=O)c2n(C31CCCCCC3)nc(c2)c1ccco1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.159g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.362g/mol
Monoisotopic Mass:
300.159g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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