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

C18H11FN6O — CID 118389293

IUPAC2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3[nH]ncc3c2)nc2nc(-c3ccc(F)cc3)[nH]n12
InChIInChI=1S/C18H11FN6O/c19-13-4-1-10(2-5-13)17-22-18-21-15(8-16(26)25(18)24-17)11-3-6-14-12(7-11)9-20-23-14/h1-9H,(H,20,23)(H,21,22,24)
InChIKeyWVBRWJOSEXQMOW-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.77
Rot. Bonds2

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

2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 118389293) has the molecular formula C18H11FN6O and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID118389293
Molecular FormulaC18H11FN6O
Molecular Weight346.33 g/mol
Exact Mass346.10
IUPAC Name2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3[nH]ncc3c2)nc2nc(-c3ccc(F)cc3)[nH]n12
InChIInChI=1S/C18H11FN6O/c19-13-4-1-10(2-5-13)17-22-18-21-15(8-16(26)25(18)24-17)11-3-6-14-12(7-11)9-20-23-14/h1-9H,(H,20,23)(H,21,22,24)
InChIKeyWVBRWJOSEXQMOW-UHFFFAOYSA-N
XLogP2.77
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 118389293) is 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc3[nH]ncc3c2)nc2nc(-c3ccc(F)cc3)[nH]n12.
What is the InChIKey of 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WVBRWJOSEXQMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6O/c19-13-4-1-10(2-5-13)17-22-18-21-15(8-16(26)25(18)24-17)11-3-6-14-12(7-11)9-20-23-14/h1-9H,(H,20,23)(H,21,22,24).
What are the key properties of 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 118389293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).