N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

C24H24ClN5O — CID 59612390

IUPACN-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIInChI=1S/C24H24ClN5O/c1-2-31-22-8-6-18(25)15-21(22)20-4-3-13-30-23(20)28-24(29-30)27-19-7-5-16-9-11-26-12-10-17(16)14-19/h3-8,13-15,26H,2,9-12H2,1H3,(H,27,29)
InChIKeyLJMAHFPNAVYSNS-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.88
Rot. Bonds5

About N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (PubChem CID 59612390) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine.

Molecular Properties

Compound NameN-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
PubChem CID59612390
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC NameN-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIInChI=1S/C24H24ClN5O/c1-2-31-22-8-6-18(25)15-21(22)20-4-3-13-30-23(20)28-24(29-30)27-19-7-5-16-9-11-26-12-10-17(16)14-19/h3-8,13-15,26H,2,9-12H2,1H3,(H,27,29)
InChIKeyLJMAHFPNAVYSNS-UHFFFAOYSA-N
XLogP4.88
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The IUPAC name of N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (CID 59612390) is N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine.
What is the SMILES notation for N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The canonical SMILES for N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine is CCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12.
What is the InChIKey of N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The InChIKey is LJMAHFPNAVYSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-2-31-22-8-6-18(25)15-21(22)20-4-3-13-30-23(20)28-24(29-30)27-19-7-5-16-9-11-26-12-10-17(16)14-19/h3-8,13-15,26H,2,9-12H2,1H3,(H,27,29).
What are the key properties of N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine has a molecular weight of 433.94 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(5-chloro-2-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine is sourced from PubChem (CID 59612390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).