1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine

C9H6F2N6 — CID 134499331

IUPAC1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine
SMILESFC(F)c1nc(-n2ncc3ncccc32)n[nH]1
InChIInChI=1S/C9H6F2N6/c10-7(11)8-14-9(16-15-8)17-6-2-1-3-12-5(6)4-13-17/h1-4,7H,(H,14,15,16)
InChIKeyIUGISNXZNCPXAG-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.48
Rot. Bonds2

About 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine

1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine (PubChem CID 134499331) has the molecular formula C9H6F2N6 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine
PubChem CID134499331
Molecular FormulaC9H6F2N6
Molecular Weight236.19 g/mol
Exact Mass236.06
IUPAC Name1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine
SMILESFC(F)c1nc(-n2ncc3ncccc32)n[nH]1
InChIInChI=1S/C9H6F2N6/c10-7(11)8-14-9(16-15-8)17-6-2-1-3-12-5(6)4-13-17/h1-4,7H,(H,14,15,16)
InChIKeyIUGISNXZNCPXAG-UHFFFAOYSA-N
XLogP1.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine (CID 134499331) is 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine is FC(F)c1nc(-n2ncc3ncccc32)n[nH]1.
What is the InChIKey of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine?
The InChIKey is IUGISNXZNCPXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N6/c10-7(11)8-14-9(16-15-8)17-6-2-1-3-12-5(6)4-13-17/h1-4,7H,(H,14,15,16).
What are the key properties of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine?
1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine has a molecular weight of 236.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 134499331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).