2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one

C17H12FN5O2 — CID 131953495

IUPAC2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2ccc(-c3cn(-c4ccc(O)c(F)c4)nn3)nc2c1=O
InChIInChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
InChIKeyVGLQAFZICPSJRO-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.03
Rot. Bonds2

About 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one

2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one (PubChem CID 131953495) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one
PubChem CID131953495
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2ccc(-c3cn(-c4ccc(O)c(F)c4)nn3)nc2c1=O
InChIInChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
InChIKeyVGLQAFZICPSJRO-UHFFFAOYSA-N
XLogP2.03
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
The IUPAC name of 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one (CID 131953495) is 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one.
What is the SMILES notation for 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
The canonical SMILES for 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one is Cn1ccc2ccc(-c3cn(-c4ccc(O)c(F)c4)nn3)nc2c1=O.
What is the InChIKey of 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
The InChIKey is VGLQAFZICPSJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3.
What are the key properties of 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one has a molecular weight of 337.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one is sourced from PubChem (CID 131953495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).