4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile

C17H9FN6 — CID 178156438

IUPAC4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccc(F)cc3)nc3ncnn23)ccn1
InChIInChI=1S/C17H9FN6/c18-13-3-1-11(2-4-13)15-8-16(24-17(23-15)21-10-22-24)12-5-6-20-14(7-12)9-19/h1-8,10H
InChIKeyFPVWFPZYEGVVEO-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.86
Rot. Bonds2

About 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile

4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile (PubChem CID 178156438) has the molecular formula C17H9FN6 and a molecular weight of 316.30 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile
PubChem CID178156438
Molecular FormulaC17H9FN6
Molecular Weight316.30 g/mol
Exact Mass316.09
IUPAC Name4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccc(F)cc3)nc3ncnn23)ccn1
InChIInChI=1S/C17H9FN6/c18-13-3-1-11(2-4-13)15-8-16(24-17(23-15)21-10-22-24)12-5-6-20-14(7-12)9-19/h1-8,10H
InChIKeyFPVWFPZYEGVVEO-UHFFFAOYSA-N
XLogP2.86
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036237
5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156469
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile
CID 39346399
3-fluoro-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzonitrile
CID 122540763
4-[4-[4,6-bis[4-(2-cyano-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 118397929
7-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900903
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135727318
5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156597
7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1299515
N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 44824810
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106523839

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile (CID 178156438) is 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile is N#Cc1cc(-c2cc(-c3ccc(F)cc3)nc3ncnn23)ccn1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
The InChIKey is FPVWFPZYEGVVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN6/c18-13-3-1-11(2-4-13)15-8-16(24-17(23-15)21-10-22-24)12-5-6-20-14(7-12)9-19/h1-8,10H.
What are the key properties of 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile has a molecular weight of 316.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 178156438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).