1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane

C6H13N4+ — CID 5259712

IUPAC1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1C[NH+](C2)C3
InChIInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2/p+1
InChIKeyVKYKSIONXSXAKP-UHFFFAOYSA-O
MW141.20 g/mol
LogP-2.44
Rot. Bonds

About 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane

1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane (PubChem CID 5259712) has the molecular formula C6H13N4+ and a molecular weight of 141.20 g/mol. Its IUPAC name is 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane
PubChem CID5259712
Molecular FormulaC6H13N4+
Molecular Weight141.20 g/mol
Exact Mass141.11
IUPAC Name1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1C[NH+](C2)C3
InChIInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2/p+1
InChIKeyVKYKSIONXSXAKP-UHFFFAOYSA-O
XLogP-2.44
TPSA14.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane (CID 5259712) is 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane is C1N2CN3CN1C[NH+](C2)C3.
What is the InChIKey of 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane?
The InChIKey is VKYKSIONXSXAKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2/p+1.
What are the key properties of 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane?
1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane has a molecular weight of 141.20 g/mol, XLogP of -2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-triaza-3-azoniatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 5259712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).