7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C20H12F2N4O — CID 75465916

IUPAC7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)c1
InChIInChI=1S/C20H12F2N4O/c21-14-7-12(8-15(22)11-14)9-19-24-20-23-6-5-16(26(20)25-19)18-10-13-3-1-2-4-17(13)27-18/h1-8,10-11H,9H2
InChIKeyRUIBTZGSWKIBBY-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.41
Rot. Bonds3

About 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465916) has the molecular formula C20H12F2N4O and a molecular weight of 362.34 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465916
Molecular FormulaC20H12F2N4O
Molecular Weight362.34 g/mol
Exact Mass362.10
IUPAC Name7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)c1
InChIInChI=1S/C20H12F2N4O/c21-14-7-12(8-15(22)11-14)9-19-24-20-23-6-5-16(26(20)25-19)18-10-13-3-1-2-4-17(13)27-18/h1-8,10-11H,9H2
InChIKeyRUIBTZGSWKIBBY-UHFFFAOYSA-N
XLogP4.41
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465916) is 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cc(F)cc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)c1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RUIBTZGSWKIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O/c21-14-7-12(8-15(22)11-14)9-19-24-20-23-6-5-16(26(20)25-19)18-10-13-3-1-2-4-17(13)27-18/h1-8,10-11H,9H2.
What are the key properties of 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 362.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).