3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene

C11H15N3 — CID 67350052

IUPAC3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene
SMILESC1=CCC2C(C=C1)NC=C1CNNC12
InChIInChI=1S/C11H15N3/c1-2-4-9-10(5-3-1)12-6-8-7-13-14-11(8)9/h1-3,5-6,9-14H,4,7H2
InChIKeyOLFCKVXKJGTWJM-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.45
Rot. Bonds

About 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene

3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene (PubChem CID 67350052) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene.

Molecular Properties

Compound Name3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene
PubChem CID67350052
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene
SMILESC1=CCC2C(C=C1)NC=C1CNNC12
InChIInChI=1S/C11H15N3/c1-2-4-9-10(5-3-1)12-6-8-7-13-14-11(8)9/h1-3,5-6,9-14H,4,7H2
InChIKeyOLFCKVXKJGTWJM-UHFFFAOYSA-N
XLogP0.45
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene?
The IUPAC name of 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene (CID 67350052) is 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene.
What is the SMILES notation for 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene?
The canonical SMILES for 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene is C1=CCC2C(C=C1)NC=C1CNNC12.
What is the InChIKey of 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene?
The InChIKey is OLFCKVXKJGTWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-9-10(5-3-1)12-6-8-7-13-14-11(8)9/h1-3,5-6,9-14H,4,7H2.
What are the key properties of 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene?
3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene has a molecular weight of 189.26 g/mol, XLogP of 0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-6,10,12-triene is sourced from PubChem (CID 67350052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).