8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C16H9F6N5 — CID 172797041

IUPAC8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2cnn(-c3c(C(F)(F)F)ccn4nc(C(F)(F)F)nc34)c12
InChIInChI=1S/C16H9F6N5/c1-8-3-2-4-9-7-23-27(11(8)9)12-10(15(17,18)19)5-6-26-13(12)24-14(25-26)16(20,21)22/h2-7H,1H3
InChIKeyQIPGAKFTLHNBAG-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.41
Rot. Bonds1

About 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 172797041) has the molecular formula C16H9F6N5 and a molecular weight of 385.27 g/mol. Its IUPAC name is 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID172797041
Molecular FormulaC16H9F6N5
Molecular Weight385.27 g/mol
Exact Mass385.08
IUPAC Name8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2cnn(-c3c(C(F)(F)F)ccn4nc(C(F)(F)F)nc34)c12
InChIInChI=1S/C16H9F6N5/c1-8-3-2-4-9-7-23-27(11(8)9)12-10(15(17,18)19)5-6-26-13(12)24-14(25-26)16(20,21)22/h2-7H,1H3
InChIKeyQIPGAKFTLHNBAG-UHFFFAOYSA-N
XLogP4.41
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 172797041) is 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc2cnn(-c3c(C(F)(F)F)ccn4nc(C(F)(F)F)nc34)c12.
What is the InChIKey of 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QIPGAKFTLHNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N5/c1-8-3-2-4-9-7-23-27(11(8)9)12-10(15(17,18)19)5-6-26-13(12)24-14(25-26)16(20,21)22/h2-7H,1H3.
What are the key properties of 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 385.27 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methylindazol-1-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 172797041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).