N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

C21H16FN5O — CID 146048302

IUPACN-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(-c2nnc(-c3ccccn3)nc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN5O/c1-28-17-11-5-14(6-12-17)19-21(24-16-9-7-15(22)8-10-16)25-20(27-26-19)18-4-2-3-13-23-18/h2-13H,1H3,(H,24,25,27)
InChIKeyHPTUQUABHHSFGN-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.49
Rot. Bonds5

About N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 146048302) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID146048302
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC NameN-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(-c2nnc(-c3ccccn3)nc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN5O/c1-28-17-11-5-14(6-12-17)19-21(24-16-9-7-15(22)8-10-16)25-20(27-26-19)18-4-2-3-13-23-18/h2-13H,1H3,(H,24,25,27)
InChIKeyHPTUQUABHHSFGN-UHFFFAOYSA-N
XLogP4.49
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 146048302) is N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is COc1ccc(-c2nnc(-c3ccccn3)nc2Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is HPTUQUABHHSFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-28-17-11-5-14(6-12-17)19-21(24-16-9-7-15(22)8-10-16)25-20(27-26-19)18-4-2-3-13-23-18/h2-13H,1H3,(H,24,25,27).
What are the key properties of N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 373.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 146048302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).