5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H13FN4O — CID 134439337

IUPAC5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cccc(F)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13FN4O/c1-8(2)11-12(9-4-3-5-10(15)6-9)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeySVOAHCALDCNCKB-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.35
Rot. Bonds2

About 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439337) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439337
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cccc(F)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13FN4O/c1-8(2)11-12(9-4-3-5-10(15)6-9)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeySVOAHCALDCNCKB-UHFFFAOYSA-N
XLogP2.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439337) is 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cccc(F)c2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SVOAHCALDCNCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8(2)11-12(9-4-3-5-10(15)6-9)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 272.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).