8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine

C23H21ClN6 — CID 155529162

IUPAC8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1C(Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H21ClN6/c1-14-28-29-23-11-8-20(27-18-6-4-17(24)5-7-18)19-12-15(2-9-21(19)30(14)23)16-3-10-22(25)26-13-16/h2-7,9-10,12-13,20,27H,8,11H2,1H3,(H2,25,26)
InChIKeyZZDADSWXHHZOQR-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.97
Rot. Bonds3

About 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine

8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (PubChem CID 155529162) has the molecular formula C23H21ClN6 and a molecular weight of 416.92 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
PubChem CID155529162
Molecular FormulaC23H21ClN6
Molecular Weight416.92 g/mol
Exact Mass416.15
IUPAC Name8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1C(Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H21ClN6/c1-14-28-29-23-11-8-20(27-18-6-4-17(24)5-7-18)19-12-15(2-9-21(19)30(14)23)16-3-10-22(25)26-13-16/h2-7,9-10,12-13,20,27H,8,11H2,1H3,(H2,25,26)
InChIKeyZZDADSWXHHZOQR-UHFFFAOYSA-N
XLogP4.97
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-ethoxyphenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CID 171638058
5-[1-methyl-6-(4-methylphenyl)-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-8-yl]pyridin-2-amine
CID 90139161
5-[(4R)-6-(5-chloro-2-pyridinyl)-1,4-dimethyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-8-yl]pyrazin-2-amine
CID 70978622
N-(4-chlorophenyl)-3-methyl-12-(1-methylpyrazol-4-yl)-5-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-amine
CID 155043531
1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
CID 44591502
methyl 2-[8-bromo-6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]acetate
CID 163759999
N-(4-chlorophenyl)-1-methyl-9-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
CID 155042790
(1Z)-1-(1-aminoethylidene)-5-N-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine
CID 166878514
5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane
CID 158161017
8-bromo-6-(4-chlorophenyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine;6-(4-chlorophenyl)-1-methyl-8-pyrimidin-2-yl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
CID 160981239
N-(4-chlorophenyl)-1,3-dimethyl-9-(1-methylpyrazol-4-yl)-2,5,6,7-tetrahydrotriazolo[5,1-a][2]benzazepin-7-amine
CID 166877674
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265381

Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The IUPAC name of 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (CID 155529162) is 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1C(Nc1ccc(Cl)cc1)CC2.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The InChIKey is ZZDADSWXHHZOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6/c1-14-28-29-23-11-8-20(27-18-6-4-17(24)5-7-18)19-12-15(2-9-21(19)30(14)23)16-3-10-22(25)26-13-16/h2-7,9-10,12-13,20,27H,8,11H2,1H3,(H2,25,26).
What are the key properties of 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine has a molecular weight of 416.92 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is sourced from PubChem (CID 155529162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).