7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C17H12ClFN4 — CID 2920259

IUPAC7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccccc3Cl)n3ncnc3N2)cc1
InChIInChI=1S/C17H12ClFN4/c18-14-4-2-1-3-13(14)16-9-15(11-5-7-12(19)8-6-11)22-17-20-10-21-23(16)17/h1-10,16H,(H,20,21,22)
InChIKeyJNTLISWBQULGGX-UHFFFAOYSA-N
MW326.76 g/mol
LogP4.13
Rot. Bonds2

About 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2920259) has the molecular formula C17H12ClFN4 and a molecular weight of 326.76 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2920259
Molecular FormulaC17H12ClFN4
Molecular Weight326.76 g/mol
Exact Mass326.07
IUPAC Name7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccccc3Cl)n3ncnc3N2)cc1
InChIInChI=1S/C17H12ClFN4/c18-14-4-2-1-3-13(14)16-9-15(11-5-7-12(19)8-6-11)22-17-20-10-21-23(16)17/h1-10,16H,(H,20,21,22)
InChIKeyJNTLISWBQULGGX-UHFFFAOYSA-N
XLogP4.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2920259) is 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(C2=CC(c3ccccc3Cl)n3ncnc3N2)cc1.
What is the InChIKey of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JNTLISWBQULGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4/c18-14-4-2-1-3-13(14)16-9-15(11-5-7-12(19)8-6-11)22-17-20-10-21-23(16)17/h1-10,16H,(H,20,21,22).
What are the key properties of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 326.76 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2920259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).