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

C24H26ClN5 — CID 155519067

IUPACN-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(C3=CCN(C)CC3)cc1C(Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C24H26ClN5/c1-16-27-28-24-10-8-22(26-20-6-4-19(25)5-7-20)21-15-18(3-9-23(21)30(16)24)17-11-13-29(2)14-12-17/h3-7,9,11,15,22,26H,8,10,12-14H2,1-2H3
InChIKeyRQVPXHJNTDXPBJ-UHFFFAOYSA-N
MW419.96 g/mol
LogP5.05
Rot. Bonds3

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

N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (PubChem CID 155519067) has the molecular formula C24H26ClN5 and a molecular weight of 419.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-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-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
PubChem CID155519067
Molecular FormulaC24H26ClN5
Molecular Weight419.96 g/mol
Exact Mass419.19
IUPAC NameN-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(C3=CCN(C)CC3)cc1C(Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C24H26ClN5/c1-16-27-28-24-10-8-22(26-20-6-4-19(25)5-7-20)21-15-18(3-9-23(21)30(16)24)17-11-13-29(2)14-12-17/h3-7,9,11,15,22,26H,8,10,12-14H2,1-2H3
InChIKeyRQVPXHJNTDXPBJ-UHFFFAOYSA-N
XLogP5.05
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.96
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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(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
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8-bromo-N-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
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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
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N-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]acetamide
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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
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-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-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (CID 155519067) is N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-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-methyl-3,6-dihydro-2H-pyridin-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-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is Cc1nnc2n1-c1ccc(C3=CCN(C)CC3)cc1C(Nc1ccc(Cl)cc1)CC2.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The InChIKey is RQVPXHJNTDXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5/c1-16-27-28-24-10-8-22(26-20-6-4-19(25)5-7-20)21-15-18(3-9-23(21)30(16)24)17-11-13-29(2)14-12-17/h3-7,9,11,15,22,26H,8,10,12-14H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine has a molecular weight of 419.96 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is sourced from PubChem (CID 155519067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).