2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione

C21H16FN3O3 — CID 118274678

IUPAC2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc3cc(F)ccc3c2)nc1OCc1ccccc1
InChIInChI=1S/C21H16FN3O3/c22-18-9-8-16-10-15(6-7-17(16)11-18)12-25-21(27)23-19(26)20(24-25)28-13-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,26,27)
InChIKeyDKLTYPJKIOXWOC-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.85
Rot. Bonds5

About 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione

2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione (PubChem CID 118274678) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione
PubChem CID118274678
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc3cc(F)ccc3c2)nc1OCc1ccccc1
InChIInChI=1S/C21H16FN3O3/c22-18-9-8-16-10-15(6-7-17(16)11-18)12-25-21(27)23-19(26)20(24-25)28-13-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,26,27)
InChIKeyDKLTYPJKIOXWOC-UHFFFAOYSA-N
XLogP2.85
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione (CID 118274678) is 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccc3cc(F)ccc3c2)nc1OCc1ccccc1.
What is the InChIKey of 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The InChIKey is DKLTYPJKIOXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-18-9-8-16-10-15(6-7-17(16)11-18)12-25-21(27)23-19(26)20(24-25)28-13-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,26,27).
What are the key properties of 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione has a molecular weight of 377.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoronaphthalen-2-yl)methyl]-6-phenylmethoxy-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 118274678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).