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Home > Pyridines > 2060000-58-8
2060000-58-8 | 2-{7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-1-yl}pyridine
CAS No: 2060000-58-8 Catalog No: AG01BUS9 MDL No:MFCD30497561
Product Description
Catalog Number:
AG01BUS9
Chemical Name:
2-{7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-1-yl}pyridine
CAS Number:
2060000-58-8
Molecular Formula:
C14H18N4
Molecular Weight:
242.3195
MDL Number:
MFCD30497561
IUPAC Name:
7,7-dimethyl-1-pyridin-2-yl-4,5,6,8-tetrahydropyrazolo[4,3-c]azepine
InChI:
InChI=1S/C14H18N4/c1-14(2)7-12-11(8-15-10-14)9-17-18(12)13-5-3-4-6-16-13/h3-6,9,15H,7-8,10H2,1-2H3
InChI Key:
MVLUHFKCZYUQKY-UHFFFAOYSA-N
SMILES:
CC1(C)CNCc2c(C1)n(nc2)c1ccccn1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.326g/mol
Monoisotopic Mass:
242.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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