3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene

C11H18N4 — CID 586675

IUPAC3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
SMILESc1cc2nc(c1)CNCCNCCNC2
InChIInChI=1S/C11H18N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h1-3,12-14H,4-9H2
InChIKeyLNMUPMQUMCDOKO-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.14
Rot. Bonds

About 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene

3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene (PubChem CID 586675) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene.

Molecular Properties

Compound Name3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
PubChem CID586675
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
SMILESc1cc2nc(c1)CNCCNCCNC2
InChIInChI=1S/C11H18N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h1-3,12-14H,4-9H2
InChIKeyLNMUPMQUMCDOKO-UHFFFAOYSA-N
XLogP-0.14
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene?
The IUPAC name of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene (CID 586675) is 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene.
What is the SMILES notation for 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene?
The canonical SMILES for 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene is c1cc2nc(c1)CNCCNCCNC2.
What is the InChIKey of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene?
The InChIKey is LNMUPMQUMCDOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h1-3,12-14H,4-9H2.
What are the key properties of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene?
3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene has a molecular weight of 206.29 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene is sourced from PubChem (CID 586675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).