8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C16H11F3N4 — CID 171676136

IUPAC8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1ccc2c(-c3cc(C(F)(F)F)cn4ncnc34)cccc21
InChIInChI=1S/C16H11F3N4/c1-22-6-5-12-11(3-2-4-14(12)22)13-7-10(16(17,18)19)8-23-15(13)20-9-21-23/h2-9H,1H3
InChIKeyDALDVMMQRCKHQN-UHFFFAOYSA-N
MW316.29 g/mol
LogP3.91
Rot. Bonds1

About 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 171676136) has the molecular formula C16H11F3N4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID171676136
Molecular FormulaC16H11F3N4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1ccc2c(-c3cc(C(F)(F)F)cn4ncnc34)cccc21
InChIInChI=1S/C16H11F3N4/c1-22-6-5-12-11(3-2-4-14(12)22)13-7-10(16(17,18)19)8-23-15(13)20-9-21-23/h2-9H,1H3
InChIKeyDALDVMMQRCKHQN-UHFFFAOYSA-N
XLogP3.91
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 171676136) is 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cn1ccc2c(-c3cc(C(F)(F)F)cn4ncnc34)cccc21.
What is the InChIKey of 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DALDVMMQRCKHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4/c1-22-6-5-12-11(3-2-4-14(12)22)13-7-10(16(17,18)19)8-23-15(13)20-9-21-23/h2-9H,1H3.
What are the key properties of 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 316.29 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-4-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 171676136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).