1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

C17H16FN5O — CID 7098280

IUPAC1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESC[C@H](c1ccccc1F)n1cc(C(=O)NCc2ccncc2)nn1
InChIInChI=1S/C17H16FN5O/c1-12(14-4-2-3-5-15(14)18)23-11-16(21-22-23)17(24)20-10-13-6-8-19-9-7-13/h2-9,11-12H,10H2,1H3,(H,20,24)/t12-/m1/s1
InChIKeyAHCPUFSDLGPMEN-GFCCVEGCSA-N
MW325.35 g/mol
LogP2.35
Rot. Bonds5

About 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (PubChem CID 7098280) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
PubChem CID7098280
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESC[C@H](c1ccccc1F)n1cc(C(=O)NCc2ccncc2)nn1
InChIInChI=1S/C17H16FN5O/c1-12(14-4-2-3-5-15(14)18)23-11-16(21-22-23)17(24)20-10-13-6-8-19-9-7-13/h2-9,11-12H,10H2,1H3,(H,20,24)/t12-/m1/s1
InChIKeyAHCPUFSDLGPMEN-GFCCVEGCSA-N
XLogP2.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 3231011
N-tert-butyl-1-[(1S)-1-(2-fluorophenyl)ethyl]triazole-4-carboxamide
CID 7442906
1-[(1S)-1-(2-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443007
2-(2-fluorophenyl)-3-hydroxy-N-(pyridin-4-ylmethyl)propanamide
CID 155040333
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
CID 42465768
(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide
CID 86836437
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
N-benzyl-1-(2-(18F)fluoroethyl)triazole-4-carboxamide
CID 59757295
N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 7443313
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (CID 7098280) is 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is C[C@H](c1ccccc1F)n1cc(C(=O)NCc2ccncc2)nn1.
What is the InChIKey of 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The InChIKey is AHCPUFSDLGPMEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-12(14-4-2-3-5-15(14)18)23-11-16(21-22-23)17(24)20-10-13-6-8-19-9-7-13/h2-9,11-12H,10H2,1H3,(H,20,24)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluorophenyl)ethyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 7098280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).