200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1245771-83-8
1245771-83-8 | 3-[1-(3-Methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS No: 1245771-83-8 Catalog No: AG00HHP9 MDL No:MFCD16345368
Product Description
Catalog Number:
AG00HHP9
Chemical Name:
3-[1-(3-Methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS Number:
1245771-83-8
Molecular Formula:
C13H18N6O2
Molecular Weight:
290.3210
MDL Number:
MFCD16345368
IUPAC Name:
3-[1-(3-methyl-4-nitropyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
InChI:
InChI=1S/C13H18N6O2/c1-9-11(19(20)21)8-18(16-9)10(2)13-15-14-12-6-4-3-5-7-17(12)13/h8,10H,3-7H2,1-2H3
InChI Key:
DOXJGTDWCFOOQX-UHFFFAOYSA-N
SMILES:
CC(c1nnc2n1CCCCC2)n1cc(c(n1)C)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.327g/mol
Monoisotopic Mass:
290.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.