5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C16H9F6N5 — CID 134458100

IUPAC5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)(F)F)ccc3nc(C(F)(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C16H9F6N5/c1-7-4-8(5-9-6-23-25-12(7)9)13-10(15(17,18)19)2-3-11-24-14(16(20,21)22)26-27(11)13/h2-6H,1H3,(H,23,25)
InChIKeyZTNPPDKDAGBGAW-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.62
Rot. Bonds1

About 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134458100) has the molecular formula C16H9F6N5 and a molecular weight of 385.27 g/mol. Its IUPAC name is 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134458100
Molecular FormulaC16H9F6N5
Molecular Weight385.27 g/mol
Exact Mass385.08
IUPAC Name5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)(F)F)ccc3nc(C(F)(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C16H9F6N5/c1-7-4-8(5-9-6-23-25-12(7)9)13-10(15(17,18)19)2-3-11-24-14(16(20,21)22)26-27(11)13/h2-6H,1H3,(H,23,25)
InChIKeyZTNPPDKDAGBGAW-UHFFFAOYSA-N
XLogP4.62
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

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N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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CID 138105936
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
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CID 23647348

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134458100) is 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(C(F)(F)F)ccc3nc(C(F)(F)F)nn23)cc2cn[nH]c12.
What is the InChIKey of 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZTNPPDKDAGBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N5/c1-7-4-8(5-9-6-23-25-12(7)9)13-10(15(17,18)19)2-3-11-24-14(16(20,21)22)26-27(11)13/h2-6H,1H3,(H,23,25).
What are the key properties of 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 385.27 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134458100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).