3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one

C16H13N5O2 — CID 155544508

IUPAC3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one
SMILESCOc1ccc(-n2[nH]nc3c4nc(=O)ccc4c(C)nc32)cc1
InChIInChI=1S/C16H13N5O2/c1-9-12-7-8-13(22)18-14(12)15-16(17-9)21(20-19-15)10-3-5-11(23-2)6-4-10/h3-8,20H,1-2H3
InChIKeyGXOQOACGKCGAJS-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.97
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one

3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one (PubChem CID 155544508) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one
PubChem CID155544508
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one
SMILESCOc1ccc(-n2[nH]nc3c4nc(=O)ccc4c(C)nc32)cc1
InChIInChI=1S/C16H13N5O2/c1-9-12-7-8-13(22)18-14(12)15-16(17-9)21(20-19-15)10-3-5-11(23-2)6-4-10/h3-8,20H,1-2H3
InChIKeyGXOQOACGKCGAJS-UHFFFAOYSA-N
XLogP1.97
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one (CID 155544508) is 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one is COc1ccc(-n2[nH]nc3c4nc(=O)ccc4c(C)nc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one?
The InChIKey is GXOQOACGKCGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-9-12-7-8-13(22)18-14(12)15-16(17-9)21(20-19-15)10-3-5-11(23-2)6-4-10/h3-8,20H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one?
3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one has a molecular weight of 307.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-2H-triazolo[4,5-h][1,6]naphthyridin-8-one is sourced from PubChem (CID 155544508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).