4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene

C11H9N3 — CID 162715422

IUPAC4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene
SMILESC1=CC=c2c(nn3c2=CN=CC3)C=C1
InChIInChI=1S/C11H9N3/c1-2-4-9-10(5-3-1)13-14-7-6-12-8-11(9)14/h1-6,8H,7H2
InChIKeyIPZDGXPMBWLYPE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds

About 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene

4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene (PubChem CID 162715422) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene.

Molecular Properties

Compound Name4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene
PubChem CID162715422
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene
SMILESC1=CC=c2c(nn3c2=CN=CC3)C=C1
InChIInChI=1S/C11H9N3/c1-2-4-9-10(5-3-1)13-14-7-6-12-8-11(9)14/h1-6,8H,7H2
InChIKeyIPZDGXPMBWLYPE-UHFFFAOYSA-N
XLogP0.07
TPSA30.18 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 ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene?
The IUPAC name of 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene (CID 162715422) is 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene.
What is the SMILES notation for 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene?
The canonical SMILES for 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene is C1=CC=c2c(nn3c2=CN=CC3)C=C1.
What is the InChIKey of 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene?
The InChIKey is IPZDGXPMBWLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-4-9-10(5-3-1)13-14-7-6-12-8-11(9)14/h1-6,8H,7H2.
What are the key properties of 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene?
4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene has a molecular weight of 183.21 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,8,10,12-hexaene is sourced from PubChem (CID 162715422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).