200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1355004-69-1
1355004-69-1 | 1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}-6-azaspiro[2.5]octane
CAS No: 1355004-69-1 Catalog No: AG01AHFT MDL No:MFCD28118884
Product Description
Catalog Number:
AG01AHFT
Chemical Name:
1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}-6-azaspiro[2.5]octane
CAS Number:
1355004-69-1
Molecular Formula:
C14H22N4
Molecular Weight:
246.3513
MDL Number:
MFCD28118884
IUPAC Name:
3-(6-azaspiro[2.5]octan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
InChI:
InChI=1S/C14H22N4/c1-2-4-12-16-17-13(18(12)9-3-1)11-10-14(11)5-7-15-8-6-14/h11,15H,1-10H2
InChI Key:
FLRDEDACVZOAKE-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)CC2c1nnc2n1CCCCC2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.358g/mol
Monoisotopic Mass:
246.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.