3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C27H24N4 — CID 168957903

IUPAC3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cncc(-c2nnc3n2CCC(=C2c4ccccc4CCc4ccccc42)C3)c1
InChIInChI=1S/C27H24N4/c1-18-14-22(17-28-16-18)27-30-29-25-15-21(12-13-31(25)27)26-23-8-4-2-6-19(23)10-11-20-7-3-5-9-24(20)26/h2-9,14,16-17H,10-13,15H2,1H3
InChIKeyCKHNFPDDHZXQTP-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.20
Rot. Bonds1

About 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 168957903) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID168957903
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC Name3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cncc(-c2nnc3n2CCC(=C2c4ccccc4CCc4ccccc42)C3)c1
InChIInChI=1S/C27H24N4/c1-18-14-22(17-28-16-18)27-30-29-25-15-21(12-13-31(25)27)26-23-8-4-2-6-19(23)10-11-20-7-3-5-9-24(20)26/h2-9,14,16-17H,10-13,15H2,1H3
InChIKeyCKHNFPDDHZXQTP-UHFFFAOYSA-N
XLogP5.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

Analyze 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 168957903) is 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is Cc1cncc(-c2nnc3n2CCC(=C2c4ccccc4CCc4ccccc42)C3)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CKHNFPDDHZXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-18-14-22(17-28-16-18)27-30-29-25-15-21(12-13-31(25)27)26-23-8-4-2-6-19(23)10-11-20-7-3-5-9-24(20)26/h2-9,14,16-17H,10-13,15H2,1H3.
What are the key properties of 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 404.52 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 168957903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).