1,3,5-triazatricyclo[5.2.1.03,8]decane

C7H13N3 — CID 134405522

IUPAC1,3,5-triazatricyclo[5.2.1.03,8]decane
SMILESC1NCN2CN3CC1C2C3
InChIInChI=1S/C7H13N3/c1-6-2-9-3-7(6)10(5-9)4-8-1/h6-8H,1-5H2
InChIKeyZENHSSHPOMHECU-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.88
Rot. Bonds

About 1,3,5-triazatricyclo[5.2.1.03,8]decane

1,3,5-triazatricyclo[5.2.1.03,8]decane (PubChem CID 134405522) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,3,5-triazatricyclo[5.2.1.03,8]decane.

Molecular Properties

Compound Name1,3,5-triazatricyclo[5.2.1.03,8]decane
PubChem CID134405522
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,3,5-triazatricyclo[5.2.1.03,8]decane
SMILESC1NCN2CN3CC1C2C3
InChIInChI=1S/C7H13N3/c1-6-2-9-3-7(6)10(5-9)4-8-1/h6-8H,1-5H2
InChIKeyZENHSSHPOMHECU-UHFFFAOYSA-N
XLogP-0.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazatricyclo[5.2.1.03,8]decane?
The IUPAC name of 1,3,5-triazatricyclo[5.2.1.03,8]decane (CID 134405522) is 1,3,5-triazatricyclo[5.2.1.03,8]decane.
What is the SMILES notation for 1,3,5-triazatricyclo[5.2.1.03,8]decane?
The canonical SMILES for 1,3,5-triazatricyclo[5.2.1.03,8]decane is C1NCN2CN3CC1C2C3.
What is the InChIKey of 1,3,5-triazatricyclo[5.2.1.03,8]decane?
The InChIKey is ZENHSSHPOMHECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-2-9-3-7(6)10(5-9)4-8-1/h6-8H,1-5H2.
What are the key properties of 1,3,5-triazatricyclo[5.2.1.03,8]decane?
1,3,5-triazatricyclo[5.2.1.03,8]decane has a molecular weight of 139.20 g/mol, XLogP of -0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazatricyclo[5.2.1.03,8]decane is sourced from PubChem (CID 134405522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).