1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine

C17H22N4 — CID 162636407

IUPAC1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
SMILESCN1CCCCC1c1nnc2n1Cc1ccccc1CC2
InChIInChI=1S/C17H22N4/c1-20-11-5-4-8-15(20)17-19-18-16-10-9-13-6-2-3-7-14(13)12-21(16)17/h2-3,6-7,15H,4-5,8-12H2,1H3
InChIKeyCWLJHCDQTVPJCS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.58
Rot. Bonds1

About 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine

1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine (PubChem CID 162636407) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine.

Molecular Properties

Compound Name1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
PubChem CID162636407
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
SMILESCN1CCCCC1c1nnc2n1Cc1ccccc1CC2
InChIInChI=1S/C17H22N4/c1-20-11-5-4-8-15(20)17-19-18-16-10-9-13-6-2-3-7-14(13)12-21(16)17/h2-3,6-7,15H,4-5,8-12H2,1H3
InChIKeyCWLJHCDQTVPJCS-UHFFFAOYSA-N
XLogP2.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The IUPAC name of 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine (CID 162636407) is 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine.
What is the SMILES notation for 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The canonical SMILES for 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine is CN1CCCCC1c1nnc2n1Cc1ccccc1CC2.
What is the InChIKey of 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The InChIKey is CWLJHCDQTVPJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-20-11-5-4-8-15(20)17-19-18-16-10-9-13-6-2-3-7-14(13)12-21(16)17/h2-3,6-7,15H,4-5,8-12H2,1H3.
What are the key properties of 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine has a molecular weight of 282.39 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine is sourced from PubChem (CID 162636407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).