7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

C17H12FN5O — CID 135518254

IUPAC7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3ccc(F)cc3)n2)ncc2cccnc12
InChIInChI=1S/C17H12FN5O/c18-12-5-3-10(4-6-12)8-13-21-17(23-22-13)15-16(24)14-11(9-20-15)2-1-7-19-14/h1-7,9,24H,8H2,(H,21,22,23)
InChIKeyVNBMTBOVZFWRAI-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.85
Rot. Bonds3

About 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135518254) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135518254
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3ccc(F)cc3)n2)ncc2cccnc12
InChIInChI=1S/C17H12FN5O/c18-12-5-3-10(4-6-12)8-13-21-17(23-22-13)15-16(24)14-11(9-20-15)2-1-7-19-14/h1-7,9,24H,8H2,(H,21,22,23)
InChIKeyVNBMTBOVZFWRAI-UHFFFAOYSA-N
XLogP2.85
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135518254) is 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is Oc1c(-c2n[nH]c(Cc3ccc(F)cc3)n2)ncc2cccnc12.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is VNBMTBOVZFWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-12-5-3-10(4-6-12)8-13-21-17(23-22-13)15-16(24)14-11(9-20-15)2-1-7-19-14/h1-7,9,24H,8H2,(H,21,22,23).
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 321.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135518254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).