1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C18H25N5 — CID 136573880

IUPAC1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCN1CCCC(NC2CCc3ncnn3C2)c2ccccc21
InChIInChI=1S/C18H25N5/c1-2-22-11-5-7-16(15-6-3-4-8-17(15)22)21-14-9-10-18-19-13-20-23(18)12-14/h3-4,6,8,13-14,16,21H,2,5,7,9-12H2,1H3
InChIKeyQCUWJMNDWIDZGR-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.54
Rot. Bonds3

About 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 136573880) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID136573880
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCN1CCCC(NC2CCc3ncnn3C2)c2ccccc21
InChIInChI=1S/C18H25N5/c1-2-22-11-5-7-16(15-6-3-4-8-17(15)22)21-14-9-10-18-19-13-20-23(18)12-14/h3-4,6,8,13-14,16,21H,2,5,7,9-12H2,1H3
InChIKeyQCUWJMNDWIDZGR-UHFFFAOYSA-N
XLogP2.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 136573880) is 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCN1CCCC(NC2CCc3ncnn3C2)c2ccccc21.
What is the InChIKey of 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is QCUWJMNDWIDZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-2-22-11-5-7-16(15-6-3-4-8-17(15)22)21-14-9-10-18-19-13-20-23(18)12-14/h3-4,6,8,13-14,16,21H,2,5,7,9-12H2,1H3.
What are the key properties of 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 311.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 136573880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).