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

C24H25N5O — CID 59612550

IUPACN-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESCOCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CCNCC4)nn12
InChIInChI=1S/C24H25N5O/c1-30-16-19-5-2-3-6-21(19)22-7-4-8-23-27-24(28-29(22)23)26-20-10-9-17-11-13-25-14-12-18(17)15-20/h2-10,15,25H,11-14,16H2,1H3,(H,26,28)
InChIKeyOWPJOUMIEMAPFV-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.97
Rot. Bonds5

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

N-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (PubChem CID 59612550) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine.

Molecular Properties

Compound NameN-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
PubChem CID59612550
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESCOCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CCNCC4)nn12
InChIInChI=1S/C24H25N5O/c1-30-16-19-5-2-3-6-21(19)22-7-4-8-23-27-24(28-29(22)23)26-20-10-9-17-11-13-25-14-12-18(17)15-20/h2-10,15,25H,11-14,16H2,1H3,(H,26,28)
InChIKeyOWPJOUMIEMAPFV-UHFFFAOYSA-N
XLogP3.97
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(methoxymethyl)phenyl]-[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-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (CID 59612550) is N-[5-[2-(methoxymethyl)phenyl]-[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-[5-[2-(methoxymethyl)phenyl]-[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-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine is COCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CCNCC4)nn12.
What is the InChIKey of N-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The InChIKey is OWPJOUMIEMAPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-30-16-19-5-2-3-6-21(19)22-7-4-8-23-27-24(28-29(22)23)26-20-10-9-17-11-13-25-14-12-18(17)15-20/h2-10,15,25H,11-14,16H2,1H3,(H,26,28).
What are the key properties of N-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
N-[5-[2-(methoxymethyl)phenyl]-[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 399.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(methoxymethyl)phenyl]-[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 59612550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).