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133118-23-7 | 4H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepin-5-amine, N,N-diethyl-
CAS No: 133118-23-7 Catalog No: AG0014AG MDL No:
Product Description
Catalog Number:
AG0014AG
Chemical Name:
4H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepin-5-amine, N,N-diethyl-
CAS Number:
133118-23-7
Molecular Formula:
C14H17N5
Molecular Weight:
255.3183
IUPAC Name:
N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
InChI:
InChI=1S/C14H17N5/c1-3-18(4-2)13-9-14-17-15-10-19(14)12-8-6-5-7-11(12)16-13/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
WERVPEWEZOINSQ-UHFFFAOYSA-N
SMILES:
CCN(C1=Nc2ccccc2n2c(C1)nnc2)CC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.325g/mol
Monoisotopic Mass:
255.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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