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

C11H6ClFN4 — CID 21104349

IUPAC7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccccc1-c1cc(Cl)n2ncnc2n1
InChIInChI=1S/C11H6ClFN4/c12-10-5-9(7-3-1-2-4-8(7)13)16-11-14-6-15-17(10)11/h1-6H
InChIKeyMPAHKSZVBVZXPW-UHFFFAOYSA-N
MW248.65 g/mol
LogP2.58
Rot. Bonds1

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

7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 21104349) has the molecular formula C11H6ClFN4 and a molecular weight of 248.65 g/mol. Its IUPAC name is 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID21104349
Molecular FormulaC11H6ClFN4
Molecular Weight248.65 g/mol
Exact Mass248.03
IUPAC Name7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccccc1-c1cc(Cl)n2ncnc2n1
InChIInChI=1S/C11H6ClFN4/c12-10-5-9(7-3-1-2-4-8(7)13)16-11-14-6-15-17(10)11/h1-6H
InChIKeyMPAHKSZVBVZXPW-UHFFFAOYSA-N
XLogP2.58
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 21104349) is 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccccc1-c1cc(Cl)n2ncnc2n1.
What is the InChIKey of 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MPAHKSZVBVZXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4/c12-10-5-9(7-3-1-2-4-8(7)13)16-11-14-6-15-17(10)11/h1-6H.
What are the key properties of 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 248.65 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21104349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).