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

C16H11FN4S — CID 75465854

IUPAC2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(Cc2nc3nccc(-c4ccsc4)n3n2)cc1
InChIInChI=1S/C16H11FN4S/c17-13-3-1-11(2-4-13)9-15-19-16-18-7-5-14(21(16)20-15)12-6-8-22-10-12/h1-8,10H,9H2
InChIKeyITLPOGBTGBVYLC-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.58
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465854) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465854
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(Cc2nc3nccc(-c4ccsc4)n3n2)cc1
InChIInChI=1S/C16H11FN4S/c17-13-3-1-11(2-4-13)9-15-19-16-18-7-5-14(21(16)20-15)12-6-8-22-10-12/h1-8,10H,9H2
InChIKeyITLPOGBTGBVYLC-UHFFFAOYSA-N
XLogP3.58
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465854) is 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(Cc2nc3nccc(-c4ccsc4)n3n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ITLPOGBTGBVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c17-13-3-1-11(2-4-13)9-15-19-16-18-7-5-14(21(16)20-15)12-6-8-22-10-12/h1-8,10H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 310.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).