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

C16H9ClFN5 — CID 178156469

IUPAC5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cc(-c3ccncc3)n3ncnc3n2)c(Cl)c1
InChIInChI=1S/C16H9ClFN5/c17-13-7-11(18)1-2-12(13)14-8-15(10-3-5-19-6-4-10)23-16(22-14)20-9-21-23/h1-9H
InChIKeyFUODDZNSRNRRFF-UHFFFAOYSA-N
MW325.73 g/mol
LogP3.65
Rot. Bonds2

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

5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 178156469) has the molecular formula C16H9ClFN5 and a molecular weight of 325.73 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID178156469
Molecular FormulaC16H9ClFN5
Molecular Weight325.73 g/mol
Exact Mass325.05
IUPAC Name5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cc(-c3ccncc3)n3ncnc3n2)c(Cl)c1
InChIInChI=1S/C16H9ClFN5/c17-13-7-11(18)1-2-12(13)14-8-15(10-3-5-19-6-4-10)23-16(22-14)20-9-21-23/h1-9H
InChIKeyFUODDZNSRNRRFF-UHFFFAOYSA-N
XLogP3.65
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156597
4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile
CID 178156438
7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036237
5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156510
7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 21104349
7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1299515
5-pyridin-4-yl-7-pyridin-4-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 143398176
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 895690
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135727318
1-(2,4-difluorophenyl)-N'-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)ethane-1,2-diamine
CID 166363255
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17404607

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 178156469) is 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(-c2cc(-c3ccncc3)n3ncnc3n2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FUODDZNSRNRRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN5/c17-13-7-11(18)1-2-12(13)14-8-15(10-3-5-19-6-4-10)23-16(22-14)20-9-21-23/h1-9H.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 325.73 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178156469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).