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

C16H12F3N5 — CID 134450120

IUPAC7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(C(F)(F)F)nc2c1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C16H12F3N5/c1-8-3-4-24-14(21-15(23-24)16(17,18)19)12(8)10-5-9(2)13-11(6-10)7-20-22-13/h3-7H,1-2H3,(H,20,22)
InChIKeyGAEMBEGWSKKZHQ-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.91
Rot. Bonds1

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

7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134450120) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134450120
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(C(F)(F)F)nc2c1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C16H12F3N5/c1-8-3-4-24-14(21-15(23-24)16(17,18)19)12(8)10-5-9(2)13-11(6-10)7-20-22-13/h3-7H,1-2H3,(H,20,22)
InChIKeyGAEMBEGWSKKZHQ-UHFFFAOYSA-N
XLogP3.91
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134450120) is 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccn2nc(C(F)(F)F)nc2c1-c1cc(C)c2[nH]ncc2c1.
What is the InChIKey of 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GAEMBEGWSKKZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c1-8-3-4-24-14(21-15(23-24)16(17,18)19)12(8)10-5-9(2)13-11(6-10)7-20-22-13/h3-7H,1-2H3,(H,20,22).
What are the key properties of 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 331.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134450120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).