11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

C15H22N6 — CID 167173116

IUPAC11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCCN1CCn2c(nc3cc(N4CCNCC4)cnc32)C1
InChIInChI=1S/C15H22N6/c1-2-19-7-8-21-14(11-19)18-13-9-12(10-17-15(13)21)20-5-3-16-4-6-20/h9-10,16H,2-8,11H2,1H3
InChIKeyXUQJZPWBABWTEV-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.68
Rot. Bonds2

About 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (PubChem CID 167173116) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.

Molecular Properties

Compound Name11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
PubChem CID167173116
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCCN1CCn2c(nc3cc(N4CCNCC4)cnc32)C1
InChIInChI=1S/C15H22N6/c1-2-19-7-8-21-14(11-19)18-13-9-12(10-17-15(13)21)20-5-3-16-4-6-20/h9-10,16H,2-8,11H2,1H3
InChIKeyXUQJZPWBABWTEV-UHFFFAOYSA-N
XLogP0.68
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The IUPAC name of 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (CID 167173116) is 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.
What is the SMILES notation for 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The canonical SMILES for 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is CCN1CCn2c(nc3cc(N4CCNCC4)cnc32)C1.
What is the InChIKey of 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The InChIKey is XUQJZPWBABWTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-19-7-8-21-14(11-19)18-13-9-12(10-17-15(13)21)20-5-3-16-4-6-20/h9-10,16H,2-8,11H2,1H3.
What are the key properties of 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene has a molecular weight of 286.38 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-5-piperazin-1-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is sourced from PubChem (CID 167173116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).