3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine

C18H16FN3O — CID 6409536

IUPAC3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine
SMILESCCCOc1nc(-c2ccccc2F)nnc1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c1-2-12-23-18-16(13-8-4-3-5-9-13)21-22-17(20-18)14-10-6-7-11-15(14)19/h3-11H,2,12H2,1H3
InChIKeyFASHTWVLOXVLKD-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.13
Rot. Bonds5

About 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine

3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine (PubChem CID 6409536) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine
PubChem CID6409536
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine
SMILESCCCOc1nc(-c2ccccc2F)nnc1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c1-2-12-23-18-16(13-8-4-3-5-9-13)21-22-17(20-18)14-10-6-7-11-15(14)19/h3-11H,2,12H2,1H3
InChIKeyFASHTWVLOXVLKD-UHFFFAOYSA-N
XLogP4.13
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine
CID 45035403
6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
CID 6405015
1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene
CID 67797974
6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 6405105
5-methoxy-2-phenyl-4-propoxypyrimidine
CID 67908224
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405145
2-methyl-4-phenyl-5-propoxy-1,3-oxazole
CID 71505946
3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine
CID 163761672
6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 52940447
2-phenyl-3-tridecoxythieno[3,4-b]pyrazine
CID 21200077
ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
CID 145320896

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine?
The IUPAC name of 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine (CID 6409536) is 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine.
What is the SMILES notation for 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine?
The canonical SMILES for 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine is CCCOc1nc(-c2ccccc2F)nnc1-c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine?
The InChIKey is FASHTWVLOXVLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-2-12-23-18-16(13-8-4-3-5-9-13)21-22-17(20-18)14-10-6-7-11-15(14)19/h3-11H,2,12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine?
3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine has a molecular weight of 309.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine is sourced from PubChem (CID 6409536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).