2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H11F2N5O — CID 75431413

IUPAC2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccn(-c3c(F)cccc3F)n2)nc2ccccn12
InChIInChI=1S/C16H11F2N5O/c17-12-4-3-5-13(18)15(12)22-9-7-11(19-22)10-23-16(24)21-8-2-1-6-14(21)20-23/h1-9H,10H2
InChIKeyPVKBREIDQVAZFN-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.01
Rot. Bonds3

About 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 75431413) has the molecular formula C16H11F2N5O and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID75431413
Molecular FormulaC16H11F2N5O
Molecular Weight327.29 g/mol
Exact Mass327.09
IUPAC Name2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccn(-c3c(F)cccc3F)n2)nc2ccccn12
InChIInChI=1S/C16H11F2N5O/c17-12-4-3-5-13(18)15(12)22-9-7-11(19-22)10-23-16(24)21-8-2-1-6-14(21)20-23/h1-9H,10H2
InChIKeyPVKBREIDQVAZFN-UHFFFAOYSA-N
XLogP2.01
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 75431413) is 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(Cc2ccn(-c3c(F)cccc3F)n2)nc2ccccn12.
What is the InChIKey of 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is PVKBREIDQVAZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O/c17-12-4-3-5-13(18)15(12)22-9-7-11(19-22)10-23-16(24)21-8-2-1-6-14(21)20-23/h1-9H,10H2.
What are the key properties of 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 327.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 75431413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).