4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene

C11H9N3 — CID 134507666

IUPAC4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
SMILESc1nc2cc(n1)Cc1cncc(c1)C2
InChIInChI=1S/C11H9N3/c1-8-2-10-4-11(14-7-13-10)3-9(1)6-12-5-8/h1,4-7H,2-3H2
InChIKeyKKXCRZSEENDHHX-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.37
Rot. Bonds

About 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene

4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene (PubChem CID 134507666) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene.

Molecular Properties

Compound Name4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
PubChem CID134507666
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
SMILESc1nc2cc(n1)Cc1cncc(c1)C2
InChIInChI=1S/C11H9N3/c1-8-2-10-4-11(14-7-13-10)3-9(1)6-12-5-8/h1,4-7H,2-3H2
InChIKeyKKXCRZSEENDHHX-UHFFFAOYSA-N
XLogP1.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
The IUPAC name of 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene (CID 134507666) is 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene.
What is the SMILES notation for 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
The canonical SMILES for 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene is c1nc2cc(n1)Cc1cncc(c1)C2.
What is the InChIKey of 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
The InChIKey is KKXCRZSEENDHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-8-2-10-4-11(14-7-13-10)3-9(1)6-12-5-8/h1,4-7H,2-3H2.
What are the key properties of 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene has a molecular weight of 183.21 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,11-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene is sourced from PubChem (CID 134507666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).