5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine

C18H16FN5 — CID 26399104

IUPAC5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine
SMILESFc1ccc(-c2cnnc(N3CCC[C@@H]3c3ccccn3)n2)cc1
InChIInChI=1S/C18H16FN5/c19-14-8-6-13(7-9-14)16-12-21-23-18(22-16)24-11-3-5-17(24)15-4-1-2-10-20-15/h1-2,4,6-10,12,17H,3,5,11H2/t17-/m1/s1
InChIKeyRXCNDPSUXOJWOH-QGZVFWFLSA-N
MW321.36 g/mol
LogP3.41
Rot. Bonds3

About 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine

5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine (PubChem CID 26399104) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine
PubChem CID26399104
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine
SMILESFc1ccc(-c2cnnc(N3CCC[C@@H]3c3ccccn3)n2)cc1
InChIInChI=1S/C18H16FN5/c19-14-8-6-13(7-9-14)16-12-21-23-18(22-16)24-11-3-5-17(24)15-4-1-2-10-20-15/h1-2,4,6-10,12,17H,3,5,11H2/t17-/m1/s1
InChIKeyRXCNDPSUXOJWOH-QGZVFWFLSA-N
XLogP3.41
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
CID 154749859
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 110871726
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6401202
6-chloro-2-[1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 45186323
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 110267702
2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 167978249
3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95298078
1-(5-naphthalen-2-yl-1,2,4-triazin-3-yl)-4-pyrimidin-2-yl-1,4-diazepane
CID 25454282
2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 40637940
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine (CID 26399104) is 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine is Fc1ccc(-c2cnnc(N3CCC[C@@H]3c3ccccn3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine?
The InChIKey is RXCNDPSUXOJWOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16FN5/c19-14-8-6-13(7-9-14)16-12-21-23-18(22-16)24-11-3-5-17(24)15-4-1-2-10-20-15/h1-2,4,6-10,12,17H,3,5,11H2/t17-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine?
5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine has a molecular weight of 321.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 26399104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).