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

C16H10F2N4S — CID 75465922

IUPAC2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4cccs4)n3n2)c1
InChIInChI=1S/C16H10F2N4S/c17-11-6-10(7-12(18)9-11)8-15-20-16-19-4-3-13(22(16)21-15)14-2-1-5-23-14/h1-7,9H,8H2
InChIKeyRTFMBSUHEYCCSQ-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.72
Rot. Bonds3

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

2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465922) has the molecular formula C16H10F2N4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465922
Molecular FormulaC16H10F2N4S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4cccs4)n3n2)c1
InChIInChI=1S/C16H10F2N4S/c17-11-6-10(7-12(18)9-11)8-15-20-16-19-4-3-13(22(16)21-15)14-2-1-5-23-14/h1-7,9H,8H2
InChIKeyRTFMBSUHEYCCSQ-UHFFFAOYSA-N
XLogP3.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465922) is 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cc(F)cc(Cc2nc3nccc(-c4cccs4)n3n2)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RTFMBSUHEYCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4S/c17-11-6-10(7-12(18)9-11)8-15-20-16-19-4-3-13(22(16)21-15)14-2-1-5-23-14/h1-7,9H,8H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 328.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).