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

C23H24ClN5 — CID 155554980

IUPACN-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(C3=CCNCC3)cc1C(Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H24ClN5/c1-15-27-28-23-9-7-21(26-19-5-3-18(24)4-6-19)20-14-17(2-8-22(20)29(15)23)16-10-12-25-13-11-16/h2-6,8,10,14,21,25-26H,7,9,11-13H2,1H3
InChIKeyCGQKNXSWFHOSPA-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.71
Rot. Bonds3

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

N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (PubChem CID 155554980) has the molecular formula C23H24ClN5 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
PubChem CID155554980
Molecular FormulaC23H24ClN5
Molecular Weight405.93 g/mol
Exact Mass405.17
IUPAC NameN-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(C3=CCNCC3)cc1C(Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H24ClN5/c1-15-27-28-23-9-7-21(26-19-5-3-18(24)4-6-19)20-14-17(2-8-22(20)29(15)23)16-10-12-25-13-11-16/h2-6,8,10,14,21,25-26H,7,9,11-13H2,1H3
InChIKeyCGQKNXSWFHOSPA-UHFFFAOYSA-N
XLogP4.71
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-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

Alprazolam
CID 2118
Adinazolam
CID 37632
BzT-7
CID 20350618
(6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CID 139035062
8-Chloro-N-methyl-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine
CID 119094
1-(4-chlorophenyl)-3-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)urea
CID 13953716
8-bromo-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CID 147823626
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-(phenyl-d5)-
CID 45358907
Desmethyladinazolam
CID 12611937
N-(4-chlorophenyl)-1-methyl-8-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CID 147133615
N-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]acetamide
CID 148648403
N-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]-1-methylpiperidine-4-carboxamide
CID 149201098

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (CID 155554980) is N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is Cc1nnc2n1-c1ccc(C3=CCNCC3)cc1C(Nc1ccc(Cl)cc1)CC2.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The InChIKey is CGQKNXSWFHOSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5/c1-15-27-28-23-9-7-21(26-19-5-3-18(24)4-6-19)20-14-17(2-8-22(20)29(15)23)16-10-12-25-13-11-16/h2-6,8,10,14,21,25-26H,7,9,11-13H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine has a molecular weight of 405.93 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is sourced from PubChem (CID 155554980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).