1,4,7-triazatricyclo[5.2.1.02,6]decane

C7H13N3 — CID 55299006

IUPAC1,4,7-triazatricyclo[5.2.1.02,6]decane
SMILESC1NCC2C1N1CCN2C1
InChIInChI=1S/C7H13N3/c1-2-10-5-9(1)6-3-8-4-7(6)10/h6-8H,1-5H2
InChIKeyFVZIHKBWDQPHRB-UHFFFAOYSA-N
MW139.20 g/mol
LogP-1.08
Rot. Bonds

About 1,4,7-triazatricyclo[5.2.1.02,6]decane

1,4,7-triazatricyclo[5.2.1.02,6]decane (PubChem CID 55299006) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,4,7-triazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1,4,7-triazatricyclo[5.2.1.02,6]decane
PubChem CID55299006
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,4,7-triazatricyclo[5.2.1.02,6]decane
SMILESC1NCC2C1N1CCN2C1
InChIInChI=1S/C7H13N3/c1-2-10-5-9(1)6-3-8-4-7(6)10/h6-8H,1-5H2
InChIKeyFVZIHKBWDQPHRB-UHFFFAOYSA-N
XLogP-1.08
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 ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diazabicyclo[2.2.1]heptane
CID 19908228
1,2,3,3a,4,5,6,6a-Octahydropyrrolo[2,3-d]imidazole
CID 70580916
1,2,3,3a,4,5,6,6a-Octahydropyrrolo[3,4-d]imidazole
CID 91230233
5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole
CID 129099279
1,3,5-Triazatricyclo[5.2.1.03,8]decane
CID 134405522
2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole
CID 162695078

Frequently Asked Questions

What is the IUPAC name of 1,4,7-triazatricyclo[5.2.1.02,6]decane?
The IUPAC name of 1,4,7-triazatricyclo[5.2.1.02,6]decane (CID 55299006) is 1,4,7-triazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1,4,7-triazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1,4,7-triazatricyclo[5.2.1.02,6]decane is C1NCC2C1N1CCN2C1.
What is the InChIKey of 1,4,7-triazatricyclo[5.2.1.02,6]decane?
The InChIKey is FVZIHKBWDQPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-10-5-9(1)6-3-8-4-7(6)10/h6-8H,1-5H2.
What are the key properties of 1,4,7-triazatricyclo[5.2.1.02,6]decane?
1,4,7-triazatricyclo[5.2.1.02,6]decane has a molecular weight of 139.20 g/mol, XLogP of -1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-triazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 55299006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).