6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C6H5FN4O2 — CID 165474455

IUPAC6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(F)c(O)n2n1
InChIInChI=1S/C6H5FN4O2/c1-2-8-6-9-4(12)3(7)5(13)11(6)10-2/h13H,1H3,(H,8,9,10,12)
InChIKeyFYKXQIATRCXEGT-UHFFFAOYSA-N
MW184.13 g/mol
LogP-0.43
Rot. Bonds

About 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 165474455) has the molecular formula C6H5FN4O2 and a molecular weight of 184.13 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID165474455
Molecular FormulaC6H5FN4O2
Molecular Weight184.13 g/mol
Exact Mass184.04
IUPAC Name6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(F)c(O)n2n1
InChIInChI=1S/C6H5FN4O2/c1-2-8-6-9-4(12)3(7)5(13)11(6)10-2/h13H,1H3,(H,8,9,10,12)
InChIKeyFYKXQIATRCXEGT-UHFFFAOYSA-N
XLogP-0.43
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 165474455) is 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)c(F)c(O)n2n1.
What is the InChIKey of 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FYKXQIATRCXEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O2/c1-2-8-6-9-4(12)3(7)5(13)11(6)10-2/h13H,1H3,(H,8,9,10,12).
What are the key properties of 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 184.13 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 165474455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).