2,4,9-triazatricyclo[3.3.1.13,7]decane

C7H13N3 — CID 123410758

IUPAC2,4,9-triazatricyclo[3.3.1.13,7]decane
SMILESC1C2CC3NC1NC(C2)N3
InChIInChI=1S/C7H13N3/c1-4-2-6-8-5(1)9-7(3-4)10-6/h4-10H,1-3H2
InChIKeyXTFDRTYNCFXOIM-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.44
Rot. Bonds

About 2,4,9-triazatricyclo[3.3.1.13,7]decane

2,4,9-triazatricyclo[3.3.1.13,7]decane (PubChem CID 123410758) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,4,9-triazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2,4,9-triazatricyclo[3.3.1.13,7]decane
PubChem CID123410758
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2,4,9-triazatricyclo[3.3.1.13,7]decane
SMILESC1C2CC3NC1NC(C2)N3
InChIInChI=1S/C7H13N3/c1-4-2-6-8-5(1)9-7(3-4)10-6/h4-10H,1-3H2
InChIKeyXTFDRTYNCFXOIM-UHFFFAOYSA-N
XLogP-0.44
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,9-triazatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2,4,9-triazatricyclo[3.3.1.13,7]decane (CID 123410758) is 2,4,9-triazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2,4,9-triazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2,4,9-triazatricyclo[3.3.1.13,7]decane is C1C2CC3NC1NC(C2)N3.
What is the InChIKey of 2,4,9-triazatricyclo[3.3.1.13,7]decane?
The InChIKey is XTFDRTYNCFXOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-2-6-8-5(1)9-7(3-4)10-6/h4-10H,1-3H2.
What are the key properties of 2,4,9-triazatricyclo[3.3.1.13,7]decane?
2,4,9-triazatricyclo[3.3.1.13,7]decane has a molecular weight of 139.20 g/mol, XLogP of -0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-triazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 123410758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).