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

C15H25N5O — CID 82751555

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H25N5O/c1-3-16-13-17-14(19-15(18-13)21-4-2)20-10-9-11-7-5-6-8-12(11)20/h11-12H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyISDJIELDKLPYQC-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.47
Rot. Bonds5

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

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 82751555) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID82751555
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H25N5O/c1-3-16-13-17-14(19-15(18-13)21-4-2)20-10-9-11-7-5-6-8-12(11)20/h11-12H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyISDJIELDKLPYQC-UHFFFAOYSA-N
XLogP2.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-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 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 82751555) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-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-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(N2CCC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is ISDJIELDKLPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-16-13-17-14(19-15(18-13)21-4-2)20-10-9-11-7-5-6-8-12(11)20/h11-12H,3-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 2.47, 5 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-ethoxy-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82751555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).