2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene

C11H17N3 — CID 63034720

IUPAC2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene
SMILESC1CCc2nc3n(c2CC1)CCNC3
InChIInChI=1S/C11H17N3/c1-2-4-9-10(5-3-1)14-7-6-12-8-11(14)13-9/h12H,1-8H2
InChIKeyPZGUWSYYAYWJTA-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.26
Rot. Bonds

About 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene

2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene (PubChem CID 63034720) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene.

Molecular Properties

Compound Name2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene
PubChem CID63034720
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene
SMILESC1CCc2nc3n(c2CC1)CCNC3
InChIInChI=1S/C11H17N3/c1-2-4-9-10(5-3-1)14-7-6-12-8-11(14)13-9/h12H,1-8H2
InChIKeyPZGUWSYYAYWJTA-UHFFFAOYSA-N
XLogP1.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene?
The IUPAC name of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene (CID 63034720) is 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene.
What is the SMILES notation for 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene?
The canonical SMILES for 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene is C1CCc2nc3n(c2CC1)CCNC3.
What is the InChIKey of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene?
The InChIKey is PZGUWSYYAYWJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-4-9-10(5-3-1)14-7-6-12-8-11(14)13-9/h12H,1-8H2.
What are the key properties of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene?
2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene has a molecular weight of 191.28 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene is sourced from PubChem (CID 63034720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).