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Home > Pyridines > 1253528-01-6
1253528-01-6 | 6'-methyl-2'-(pyridin-4-yl)-5',6'-dihydro-4'H-spiro[cycloheptane-1,7'-pyrazolo[1,5-d][1,2,4]triazine]-4'-one
CAS No: 1253528-01-6 Catalog No: AG00JWGD MDL No:MFCD17168366
Product Description
Catalog Number:
AG00JWGD
Chemical Name:
6'-methyl-2'-(pyridin-4-yl)-5',6'-dihydro-4'H-spiro[cycloheptane-1,7'-pyrazolo[1,5-d][1,2,4]triazine]-4'-one
CAS Number:
1253528-01-6
Molecular Formula:
C17H21N5O
Molecular Weight:
311.3815
MDL Number:
MFCD17168366
IUPAC Name:
6-methyl-2-pyridin-4-ylspiro[5H-pyrazolo[1,5-d][1,2,4]triazine-7,1'-cycloheptane]-4-one
InChI:
InChI=1S/C17H21N5O/c1-21-17(8-4-2-3-5-9-17)22-15(16(23)20-21)12-14(19-22)13-6-10-18-11-7-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,23)
InChI Key:
LMDWMSHIGXPWIE-UHFFFAOYSA-N
SMILES:
CN1NC(=O)c2n(C31CCCCCC3)nc(c2)c1ccncc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.389g/mol
Monoisotopic Mass:
311.175g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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