12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C14H16N4 — CID 58010265

IUPAC12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESc1cc2c(ncc3ncc(C4CCCCC4)n32)[nH]1
InChIInChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2
InChIKeyDRLXSJUOTKNTDH-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.26
Rot. Bonds1

About 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 58010265) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID58010265
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESc1cc2c(ncc3ncc(C4CCCCC4)n32)[nH]1
InChIInChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2
InChIKeyDRLXSJUOTKNTDH-UHFFFAOYSA-N
XLogP3.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 58010265) is 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is c1cc2c(ncc3ncc(C4CCCCC4)n32)[nH]1.
What is the InChIKey of 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is DRLXSJUOTKNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2.
What are the key properties of 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 240.31 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 58010265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).