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

C17H13N5O2 — CID 122457241

IUPAC2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2ccc(-c3cn(-c4ccc(O)cc4)nn3)nc2c1=O
InChIInChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3
InChIKeyKANBQBQJUNGFMT-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.89
Rot. Bonds2

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

2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one (PubChem CID 122457241) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one
PubChem CID122457241
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2ccc(-c3cn(-c4ccc(O)cc4)nn3)nc2c1=O
InChIInChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3
InChIKeyKANBQBQJUNGFMT-UHFFFAOYSA-N
XLogP1.89
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
The IUPAC name of 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one (CID 122457241) is 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one is Cn1ccc2ccc(-c3cn(-c4ccc(O)cc4)nn3)nc2c1=O.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
The InChIKey is KANBQBQJUNGFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3.
What are the key properties of 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one?
2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one has a molecular weight of 319.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)triazol-4-yl]-7-methyl-1,7-naphthyridin-8-one is sourced from PubChem (CID 122457241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).