1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane

C9H18N4 — CID 10921158

IUPAC1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane
SMILESC1CN2CCNC3NCCN(C1)C32
InChIInChI=1S/C9H18N4/c1-4-12-6-2-10-8-9(12)13(5-1)7-3-11-8/h8-11H,1-7H2
InChIKeyDAVLXWLUGZJMOK-UHFFFAOYSA-N
MW182.27 g/mol
LogP-1.15
Rot. Bonds

About 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane

1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane (PubChem CID 10921158) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane.

Molecular Properties

Compound Name1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane
PubChem CID10921158
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane
SMILESC1CN2CCNC3NCCN(C1)C32
InChIInChI=1S/C9H18N4/c1-4-12-6-2-10-8-9(12)13(5-1)7-3-11-8/h8-11H,1-7H2
InChIKeyDAVLXWLUGZJMOK-UHFFFAOYSA-N
XLogP-1.15
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
The IUPAC name of 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane (CID 10921158) is 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane.
What is the SMILES notation for 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
The canonical SMILES for 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane is C1CN2CCNC3NCCN(C1)C32.
What is the InChIKey of 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
The InChIKey is DAVLXWLUGZJMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-12-6-2-10-8-9(12)13(5-1)7-3-11-8/h8-11H,1-7H2.
What are the key properties of 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane has a molecular weight of 182.27 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane is sourced from PubChem (CID 10921158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).