2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene

C8H5N3 — CID 45078299

IUPAC2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene
SMILESc1cc2cnn3cnc(c1)c23
InChIInChI=1S/C8H5N3/c1-2-6-4-10-11-5-9-7(3-1)8(6)11/h1-5H
InChIKeyQPHDDQPXIJZGOK-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.32
Rot. Bonds

About 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene

2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene (PubChem CID 45078299) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene.

Molecular Properties

Compound Name2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene
PubChem CID45078299
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene
SMILESc1cc2cnn3cnc(c1)c23
InChIInChI=1S/C8H5N3/c1-2-6-4-10-11-5-9-7(3-1)8(6)11/h1-5H
InChIKeyQPHDDQPXIJZGOK-UHFFFAOYSA-N
XLogP1.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene?
The IUPAC name of 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene (CID 45078299) is 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene.
What is the SMILES notation for 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene?
The canonical SMILES for 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene is c1cc2cnn3cnc(c1)c23.
What is the InChIKey of 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene?
The InChIKey is QPHDDQPXIJZGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c1-2-6-4-10-11-5-9-7(3-1)8(6)11/h1-5H.
What are the key properties of 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene?
2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene has a molecular weight of 143.15 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaene is sourced from PubChem (CID 45078299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).