7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H10ClFN4S — CID 4175177

IUPAC7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cccc(Cl)c1C1C=C(c2cccs2)Nc2ncnn21
InChIInChI=1S/C15H10ClFN4S/c16-9-3-1-4-10(17)14(9)12-7-11(13-5-2-6-22-13)20-15-18-8-19-21(12)15/h1-8,12H,(H,18,19,20)
InChIKeyQTPBBQOORWXBEF-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.19
Rot. Bonds2

About 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4175177) has the molecular formula C15H10ClFN4S and a molecular weight of 332.79 g/mol. Its IUPAC name is 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4175177
Molecular FormulaC15H10ClFN4S
Molecular Weight332.79 g/mol
Exact Mass332.03
IUPAC Name7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cccc(Cl)c1C1C=C(c2cccs2)Nc2ncnn21
InChIInChI=1S/C15H10ClFN4S/c16-9-3-1-4-10(17)14(9)12-7-11(13-5-2-6-22-13)20-15-18-8-19-21(12)15/h1-8,12H,(H,18,19,20)
InChIKeyQTPBBQOORWXBEF-UHFFFAOYSA-N
XLogP4.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4175177) is 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cccc(Cl)c1C1C=C(c2cccs2)Nc2ncnn21.
What is the InChIKey of 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QTPBBQOORWXBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4S/c16-9-3-1-4-10(17)14(9)12-7-11(13-5-2-6-22-13)20-15-18-8-19-21(12)15/h1-8,12H,(H,18,19,20).
What are the key properties of 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 332.79 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4175177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).