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

C17H21N5 — CID 70697582

IUPAC1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2ncnc(-c3ccc4c(c3)CCC4)n2)C1
InChIInChI=1S/C17H21N5/c18-15-5-2-8-22(10-15)17-20-11-19-16(21-17)14-7-6-12-3-1-4-13(12)9-14/h6-7,9,11,15H,1-5,8,10,18H2
InChIKeyACMHKTJLUSXGBM-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.95
Rot. Bonds2

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

1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine (PubChem CID 70697582) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine
PubChem CID70697582
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2ncnc(-c3ccc4c(c3)CCC4)n2)C1
InChIInChI=1S/C17H21N5/c18-15-5-2-8-22(10-15)17-20-11-19-16(21-17)14-7-6-12-3-1-4-13(12)9-14/h6-7,9,11,15H,1-5,8,10,18H2
InChIKeyACMHKTJLUSXGBM-UHFFFAOYSA-N
XLogP1.95
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine (CID 70697582) is 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine is NC1CCCN(c2ncnc(-c3ccc4c(c3)CCC4)n2)C1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine?
The InChIKey is ACMHKTJLUSXGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c18-15-5-2-8-22(10-15)17-20-11-19-16(21-17)14-7-6-12-3-1-4-13(12)9-14/h6-7,9,11,15H,1-5,8,10,18H2.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine?
1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine has a molecular weight of 295.39 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-yl]piperidin-3-amine is sourced from PubChem (CID 70697582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).