4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene

C8H5N3 — CID 90787556

IUPAC4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene
SMILESc1cc2c3cnc([nH]3)c2cn1
InChIInChI=1S/C8H5N3/c1-2-9-3-6-5(1)7-4-10-8(6)11-7/h1-4H,(H,10,11)
InChIKeyJJZXUSCPOSJHAN-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.55
Rot. Bonds

About 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene

4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene (PubChem CID 90787556) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene.

Molecular Properties

Compound Name4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene
PubChem CID90787556
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene
SMILESc1cc2c3cnc([nH]3)c2cn1
InChIInChI=1S/C8H5N3/c1-2-9-3-6-5(1)7-4-10-8(6)11-7/h1-4H,(H,10,11)
InChIKeyJJZXUSCPOSJHAN-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene?
The IUPAC name of 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene (CID 90787556) is 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene.
What is the SMILES notation for 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene?
The canonical SMILES for 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene is c1cc2c3cnc([nH]3)c2cn1.
What is the InChIKey of 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene?
The InChIKey is JJZXUSCPOSJHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c1-2-9-3-6-5(1)7-4-10-8(6)11-7/h1-4H,(H,10,11).
What are the key properties of 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene?
4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene has a molecular weight of 143.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene is sourced from PubChem (CID 90787556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).