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133118-21-5 | 4H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepin-5-amine, N,N,1-trimethyl-
CAS No: 133118-21-5 Catalog No: AG0014AH MDL No:
Product Description
Catalog Number:
AG0014AH
Chemical Name:
4H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepin-5-amine, N,N,1-trimethyl-
CAS Number:
133118-21-5
Molecular Formula:
C13H15N5
Molecular Weight:
241.2917
IUPAC Name:
N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
InChI:
InChI=1S/C13H15N5/c1-9-15-16-13-8-12(17(2)3)14-10-6-4-5-7-11(10)18(9)13/h4-7H,8H2,1-3H3
InChI Key:
RLHSABHZOVIPNW-UHFFFAOYSA-N
SMILES:
CN(C1=Nc2ccccc2n2c(C1)nnc2C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.298g/mol
Monoisotopic Mass:
241.133g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 1,5-Benzodiazepine tricyclic derivatives exerting anti-inflammatory effects in mice by inhibiting interleukin-6 and prostaglandinE(2)production. | Pharmacological research 20010501 |
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