200,000+ products from a single source!
sales@angenechem.com
1171236-13-7 | 5H-Pyrrolo[2,1-c]-1,2,4-triazole-3-methanamine, 6,7-dihydro-, hydrochloride (1:3)
CAS No: 1171236-13-7 Catalog No: AG000DRQ MDL No:MFCD09878559
Product Description
Catalog Number:
AG000DRQ
Chemical Name:
5H-Pyrrolo[2,1-c]-1,2,4-triazole-3-methanamine, 6,7-dihydro-, hydrochloride (1:3)
CAS Number:
1171236-13-7
Molecular Formula:
C6H13Cl3N4
Molecular Weight:
247.5532
MDL Number:
MFCD09878559
IUPAC Name:
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanamine;trihydrochloride
InChI:
InChI=1S/C6H10N4.3ClH/c7-4-6-9-8-5-2-1-3-10(5)6;;;/h1-4,7H2;3*1H
InChI Key:
GGAULNFEDJBSEM-UHFFFAOYSA-N
SMILES:
NCc1nnc2n1CCC2.Cl.Cl.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
247.548g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.