9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene

C18H13N5 — CID 178156419

IUPAC9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
SMILESC1=CCC=NN2C=1N=C(c1cccnc1)C=C2c1ccncc1
InChIInChI=1S/C18H13N5/c1-2-9-21-23-17(14-6-10-19-11-7-14)12-16(22-18(23)5-1)15-4-3-8-20-13-15/h1,3-4,6-13H,2H2
InChIKeyXOVXTQDXVUEDQL-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.01
Rot. Bonds2

About 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene

9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene (PubChem CID 178156419) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene.

Molecular Properties

Compound Name9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
PubChem CID178156419
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
SMILESC1=CCC=NN2C=1N=C(c1cccnc1)C=C2c1ccncc1
InChIInChI=1S/C18H13N5/c1-2-9-21-23-17(14-6-10-19-11-7-14)12-16(22-18(23)5-1)15-4-3-8-20-13-15/h1,3-4,6-13H,2H2
InChIKeyXOVXTQDXVUEDQL-UHFFFAOYSA-N
XLogP3.01
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510
2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
CID 170092907
cyclopenta[c]azepine
CID 638010
3-azulen-6-ylpyridine
CID 86232079
3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
CID 122224358
3-(2-methylphenyl)pyridine
CID 4133191
3-pyridin-3-yl-1,6-dihydropyridazine
CID 142411024
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
7-pyridin-3-yl-2H-azepine
CID 174357758
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
The IUPAC name of 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene (CID 178156419) is 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene.
What is the SMILES notation for 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
The canonical SMILES for 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene is C1=CCC=NN2C=1N=C(c1cccnc1)C=C2c1ccncc1.
What is the InChIKey of 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
The InChIKey is XOVXTQDXVUEDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-9-21-23-17(14-6-10-19-11-7-14)12-16(22-18(23)5-1)15-4-3-8-20-13-15/h1,3-4,6-13H,2H2.
What are the key properties of 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene?
9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene has a molecular weight of 299.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-3-yl-11-pyridin-4-yl-1,2,8-triazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene is sourced from PubChem (CID 178156419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).