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

C12H11F3N6 — CID 146433891

IUPAC3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine
SMILESCc1nc(-c2nn(CCC(F)(F)F)c3ncccc23)n[nH]1
InChIInChI=1S/C12H11F3N6/c1-7-17-10(19-18-7)9-8-3-2-5-16-11(8)21(20-9)6-4-12(13,14)15/h2-3,5H,4,6H2,1H3,(H,17,18,19)
InChIKeyZXYPGYDLBBMEFE-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.48
Rot. Bonds3

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

3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine (PubChem CID 146433891) has the molecular formula C12H11F3N6 and a molecular weight of 296.26 g/mol. Its IUPAC name is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine
PubChem CID146433891
Molecular FormulaC12H11F3N6
Molecular Weight296.26 g/mol
Exact Mass296.10
IUPAC Name3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine
SMILESCc1nc(-c2nn(CCC(F)(F)F)c3ncccc23)n[nH]1
InChIInChI=1S/C12H11F3N6/c1-7-17-10(19-18-7)9-8-3-2-5-16-11(8)21(20-9)6-4-12(13,14)15/h2-3,5H,4,6H2,1H3,(H,17,18,19)
InChIKeyZXYPGYDLBBMEFE-UHFFFAOYSA-N
XLogP2.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine (CID 146433891) is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine is Cc1nc(-c2nn(CCC(F)(F)F)c3ncccc23)n[nH]1.
What is the InChIKey of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine?
The InChIKey is ZXYPGYDLBBMEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6/c1-7-17-10(19-18-7)9-8-3-2-5-16-11(8)21(20-9)6-4-12(13,14)15/h2-3,5H,4,6H2,1H3,(H,17,18,19).
What are the key properties of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine?
3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine has a molecular weight of 296.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 146433891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).