4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C15H24N6 — CID 82752006

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCC2)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H24N6/c16-13-17-14(20-8-3-4-9-20)19-15(18-13)21-10-7-11-5-1-2-6-12(11)21/h11-12H,1-10H2,(H2,16,17,18,19)
InChIKeyJFIWVEJAFKLFRK-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.82
Rot. Bonds2

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 82752006) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID82752006
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCC2)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H24N6/c16-13-17-14(20-8-3-4-9-20)19-15(18-13)21-10-7-11-5-1-2-6-12(11)21/h11-12H,1-10H2,(H2,16,17,18,19)
InChIKeyJFIWVEJAFKLFRK-UHFFFAOYSA-N
XLogP1.82
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 82752006) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(N2CCCC2)nc(N2CCC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JFIWVEJAFKLFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c16-13-17-14(20-8-3-4-9-20)19-15(18-13)21-10-7-11-5-1-2-6-12(11)21/h11-12H,1-10H2,(H2,16,17,18,19).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 288.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82752006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).