(7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine

C12H13BrN4 — CID 162495363

IUPAC(7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
SMILESCc1nnn2c1-c1ccc(Br)cc1[C@H](N)CC2
InChIInChI=1S/C12H13BrN4/c1-7-12-9-3-2-8(13)6-10(9)11(14)4-5-17(12)16-15-7/h2-3,6,11H,4-5,14H2,1H3/t11-/m1/s1
InChIKeyOQXNAYONGQFOMY-LLVKDONJSA-N
MW293.17 g/mol
LogP2.42
Rot. Bonds

About (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine

(7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine (PubChem CID 162495363) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine.

Molecular Properties

Compound Name(7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
PubChem CID162495363
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name(7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
SMILESCc1nnn2c1-c1ccc(Br)cc1[C@H](N)CC2
InChIInChI=1S/C12H13BrN4/c1-7-12-9-3-2-8(13)6-10(9)11(14)4-5-17(12)16-15-7/h2-3,6,11H,4-5,14H2,1H3/t11-/m1/s1
InChIKeyOQXNAYONGQFOMY-LLVKDONJSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine with MolForge

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Related Compounds

(S)-N-[(7S)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-yl]-2-methylpropane-2-sulfinamide
CID 162495385
1-N-(9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 162495254
9-bromo-N-(1H-indol-5-yl)-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
CID 162495413
9-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
CID 162495292
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 83843274
9-bromo-7-(4-chlorophenyl)-1-methyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
CID 126563520
CID 163653069
CID 163653069
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417625
9-bromo-1-ethyl-5,6-dihydrotriazolo[5,1-a][2]benzazepin-7-one
CID 162495324
2-[[1-methyl-9-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-yl]amino]benzonitrile
CID 166877955
N-(4-chlorophenyl)-1-methyl-9-(3H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
CID 162495377

Frequently Asked Questions

What is the IUPAC name of (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine?
The IUPAC name of (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine (CID 162495363) is (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine.
What is the SMILES notation for (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine?
The canonical SMILES for (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine is Cc1nnn2c1-c1ccc(Br)cc1[C@H](N)CC2.
What is the InChIKey of (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine?
The InChIKey is OQXNAYONGQFOMY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7-12-9-3-2-8(13)6-10(9)11(14)4-5-17(12)16-15-7/h2-3,6,11H,4-5,14H2,1H3/t11-/m1/s1.
What are the key properties of (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine?
(7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine has a molecular weight of 293.17 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-9-bromo-1-methyl-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine is sourced from PubChem (CID 162495363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).