N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine

C17H21N5 — CID 10780218

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)CC(Nc1ncnc(N3CCCCC3)n1)C2
InChIInChI=1S/C17H21N5/c1-4-8-22(9-5-1)17-19-12-18-16(21-17)20-15-10-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15H,1,4-5,8-11H2,(H,18,19,20,21)
InChIKeyZAEGVSHACLZFMO-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.44
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine

N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 10780218) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID10780218
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)CC(Nc1ncnc(N3CCCCC3)n1)C2
InChIInChI=1S/C17H21N5/c1-4-8-22(9-5-1)17-19-12-18-16(21-17)20-15-10-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15H,1,4-5,8-11H2,(H,18,19,20,21)
InChIKeyZAEGVSHACLZFMO-UHFFFAOYSA-N
XLogP2.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine 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 N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine (CID 10780218) is N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine is c1ccc2c(c1)CC(Nc1ncnc(N3CCCCC3)n1)C2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZAEGVSHACLZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-8-22(9-5-1)17-19-12-18-16(21-17)20-15-10-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15H,1,4-5,8-11H2,(H,18,19,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 10780218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).