1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane

C8H14N4 — CID 20614907

IUPAC1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane
SMILESC1CN2CN3CN4CN(C1)C4C23
InChIInChI=1S/C8H14N4/c1-2-9-4-11-6-12-5-10(3-1)8(12)7(9)11/h7-8H,1-6H2
InChIKeyBBCPAQGISBAHRF-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.84
Rot. Bonds

About 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane

1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane (PubChem CID 20614907) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane.

Molecular Properties

Compound Name1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane
PubChem CID20614907
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane
SMILESC1CN2CN3CN4CN(C1)C4C23
InChIInChI=1S/C8H14N4/c1-2-9-4-11-6-12-5-10(3-1)8(12)7(9)11/h7-8H,1-6H2
InChIKeyBBCPAQGISBAHRF-UHFFFAOYSA-N
XLogP-0.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane?
The IUPAC name of 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane (CID 20614907) is 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane.
What is the SMILES notation for 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane?
The canonical SMILES for 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane is C1CN2CN3CN4CN(C1)C4C23.
What is the InChIKey of 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane?
The InChIKey is BBCPAQGISBAHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-9-4-11-6-12-5-10(3-1)8(12)7(9)11/h7-8H,1-6H2.
What are the key properties of 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane?
1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane has a molecular weight of 166.23 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,9-tetrazatetracyclo[7.2.1.03,11.07,10]dodecane is sourced from PubChem (CID 20614907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).