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

C16H10F2N4S — CID 75465853

IUPAC2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C16H10F2N4S/c17-12-5-10(6-13(18)8-12)7-15-20-16-19-3-1-14(22(16)21-15)11-2-4-23-9-11/h1-6,8-9H,7H2
InChIKeyWTJITANAGXTTMA-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.72
Rot. Bonds3

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

2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465853) 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-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465853
Molecular FormulaC16H10F2N4S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C16H10F2N4S/c17-12-5-10(6-13(18)8-12)7-15-20-16-19-3-1-14(22(16)21-15)11-2-4-23-9-11/h1-6,8-9H,7H2
InChIKeyWTJITANAGXTTMA-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-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465853) is 2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cc(F)cc(Cc2nc3nccc(-c4ccsc4)n3n2)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WTJITANAGXTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4S/c17-12-5-10(6-13(18)8-12)7-15-20-16-19-3-1-14(22(16)21-15)11-2-4-23-9-11/h1-6,8-9H,7H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(3,5-difluorophenyl)methyl]-7-thiophen-3-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-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).