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

C17H11ClF2N4 — CID 3399255

IUPAC7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3c(F)cccc3Cl)n3ncnc3N2)cc1
InChIInChI=1S/C17H11ClF2N4/c18-12-2-1-3-13(20)16(12)15-8-14(10-4-6-11(19)7-5-10)23-17-21-9-22-24(15)17/h1-9,15H,(H,21,22,23)
InChIKeyRVCRMXKVBCXYKO-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.27
Rot. Bonds2

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

7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3399255) has the molecular formula C17H11ClF2N4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3399255
Molecular FormulaC17H11ClF2N4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3c(F)cccc3Cl)n3ncnc3N2)cc1
InChIInChI=1S/C17H11ClF2N4/c18-12-2-1-3-13(20)16(12)15-8-14(10-4-6-11(19)7-5-10)23-17-21-9-22-24(15)17/h1-9,15H,(H,21,22,23)
InChIKeyRVCRMXKVBCXYKO-UHFFFAOYSA-N
XLogP4.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3399255) is 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(C2=CC(c3c(F)cccc3Cl)n3ncnc3N2)cc1.
What is the InChIKey of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RVCRMXKVBCXYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4/c18-12-2-1-3-13(20)16(12)15-8-14(10-4-6-11(19)7-5-10)23-17-21-9-22-24(15)17/h1-9,15H,(H,21,22,23).
What are the key properties of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 344.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3399255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).