200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1245772-82-0
1245772-82-0 | 3-[(3-Methyl-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS No: 1245772-82-0 Catalog No: AG00HHPE MDL No:MFCD16345370
Product Description
Catalog Number:
AG00HHPE
Chemical Name:
3-[(3-Methyl-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS Number:
1245772-82-0
Molecular Formula:
C12H16N6O2
Molecular Weight:
276.2944
MDL Number:
MFCD16345370
IUPAC Name:
3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
InChI:
InChI=1S/C12H16N6O2/c1-9-10(18(19)20)7-16(15-9)8-12-14-13-11-5-3-2-4-6-17(11)12/h7H,2-6,8H2,1H3
InChI Key:
FUGGNVATCHQBRC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1C)Cc1nnc2n1CCCCC2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.3g/mol
Monoisotopic Mass:
276.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.