8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

C16H9F3N6 — CID 134452797

IUPAC8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESCc1cc(-c2c(C#N)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C16H9F3N6/c1-8-4-10(5-11-7-21-23-13(8)11)12-9(6-20)2-3-25-14(12)22-15(24-25)16(17,18)19/h2-5,7H,1H3,(H,21,23)
InChIKeyWKEMSMWQAOLEPU-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.47
Rot. Bonds1

About 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 134452797) has the molecular formula C16H9F3N6 and a molecular weight of 342.28 g/mol. Its IUPAC name is 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID134452797
Molecular FormulaC16H9F3N6
Molecular Weight342.28 g/mol
Exact Mass342.08
IUPAC Name8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESCc1cc(-c2c(C#N)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12
InChIInChI=1S/C16H9F3N6/c1-8-4-10(5-11-7-21-23-13(8)11)12-9(6-20)2-3-25-14(12)22-15(24-25)16(17,18)19/h2-5,7H,1H3,(H,21,23)
InChIKeyWKEMSMWQAOLEPU-UHFFFAOYSA-N
XLogP3.47
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (CID 134452797) is 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is Cc1cc(-c2c(C#N)ccn3nc(C(F)(F)F)nc23)cc2cn[nH]c12.
What is the InChIKey of 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is WKEMSMWQAOLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N6/c1-8-4-10(5-11-7-21-23-13(8)11)12-9(6-20)2-3-25-14(12)22-15(24-25)16(17,18)19/h2-5,7H,1H3,(H,21,23).
What are the key properties of 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 342.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 134452797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).