5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine

C17H16FN5 — CID 42532729

IUPAC5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine
SMILESC[C@@H](Cc1cccnc1)Nc1nncc(-c2ccccc2F)n1
InChIInChI=1S/C17H16FN5/c1-12(9-13-5-4-8-19-10-13)21-17-22-16(11-20-23-17)14-6-2-3-7-15(14)18/h2-8,10-12H,9H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyJSNVAEQUCKJVGI-LBPRGKRZSA-N
MW309.35 g/mol
LogP3.12
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine

5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine (PubChem CID 42532729) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine
PubChem CID42532729
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine
SMILESC[C@@H](Cc1cccnc1)Nc1nncc(-c2ccccc2F)n1
InChIInChI=1S/C17H16FN5/c1-12(9-13-5-4-8-19-10-13)21-17-22-16(11-20-23-17)14-6-2-3-7-15(14)18/h2-8,10-12H,9H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyJSNVAEQUCKJVGI-LBPRGKRZSA-N
XLogP3.12
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

3-N-[(2-fluorophenyl)methyl]-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112949707
4-N,4-N,5-trimethyl-2-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrimidine-2,4-diamine
CID 95141969
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
3-N-(2-methylpropyl)-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112940492
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
CID 25453907
N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 45207076
5-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95861751
3-N-[2,6-di(propan-2-yl)phenyl]-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952287
2-[5-(2-fluorophenyl)-1,2,4-triazin-3-yl]ethanol
CID 105473582
3-[2-(2-fluorophenyl)-2-phenylethyl]pyridine
CID 176898821
2-N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-N-[5-fluoro-2-(2-fluorophenyl)pyrimidin-4-yl]-4-N-methylpyrimidine-2,4-diamine
CID 58617521
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine (CID 42532729) is 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine is C[C@@H](Cc1cccnc1)Nc1nncc(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine?
The InChIKey is JSNVAEQUCKJVGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FN5/c1-12(9-13-5-4-8-19-10-13)21-17-22-16(11-20-23-17)14-6-2-3-7-15(14)18/h2-8,10-12H,9H2,1H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine?
5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine has a molecular weight of 309.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 42532729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).