5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H8ClFN4 — CID 86703025

IUPAC5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(Cl)c(-c3cccc(F)c3)cn2n1
InChIInChI=1S/C12H8ClFN4/c1-7-15-12-16-11(13)10(6-18(12)17-7)8-3-2-4-9(14)5-8/h2-6H,1H3
InChIKeyHARMFOHZTSNPGD-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.89
Rot. Bonds1

About 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 86703025) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID86703025
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(Cl)c(-c3cccc(F)c3)cn2n1
InChIInChI=1S/C12H8ClFN4/c1-7-15-12-16-11(13)10(6-18(12)17-7)8-3-2-4-9(14)5-8/h2-6H,1H3
InChIKeyHARMFOHZTSNPGD-UHFFFAOYSA-N
XLogP2.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 86703025) is 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(Cl)c(-c3cccc(F)c3)cn2n1.
What is the InChIKey of 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HARMFOHZTSNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c1-7-15-12-16-11(13)10(6-18(12)17-7)8-3-2-4-9(14)5-8/h2-6H,1H3.
What are the key properties of 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 262.68 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86703025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).