6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C15H26N6 — CID 82751548

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H26N6/c1-3-20(4-2)14-17-13(16)18-15(19-14)21-10-9-11-7-5-6-8-12(11)21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyFWOVJUJTUHIFHL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds4

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 82751548) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID82751548
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C15H26N6/c1-3-20(4-2)14-17-13(16)18-15(19-14)21-10-9-11-7-5-6-8-12(11)21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyFWOVJUJTUHIFHL-UHFFFAOYSA-N
XLogP2.07
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 82751548) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(N2CCC3CCCCC32)n1.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FWOVJUJTUHIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-3-20(4-2)14-17-13(16)18-15(19-14)21-10-9-11-7-5-6-8-12(11)21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82751548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).