5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine

C9H13F2N3 — CID 155157347

IUPAC5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1C(F)(F)CCC2
InChIInChI=1S/C9H13F2N3/c1-6(2)8-13-12-7-4-3-5-9(10,11)14(7)8/h6H,3-5H2,1-2H3
InChIKeyXWLVTXRRQQPVNR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.29
Rot. Bonds1

About 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine

5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155157347) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155157347
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1C(F)(F)CCC2
InChIInChI=1S/C9H13F2N3/c1-6(2)8-13-12-7-4-3-5-9(10,11)14(7)8/h6H,3-5H2,1-2H3
InChIKeyXWLVTXRRQQPVNR-UHFFFAOYSA-N
XLogP2.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine (CID 155157347) is 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2n1C(F)(F)CCC2.
What is the InChIKey of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XWLVTXRRQQPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-6(2)8-13-12-7-4-3-5-9(10,11)14(7)8/h6H,3-5H2,1-2H3.
What are the key properties of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine?
5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 201.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155157347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).