3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

C18H16N4O7 — CID 69328585

IUPAC3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)O)cn32)no1
InChIInChI=1S/C18H16N4O7/c1-10-5-11(19-29-10)6-21-9-20(7-12-3-2-4-28-12)17(25)14-16(24)15(23)13(18(26)27)8-22(14)21/h2-5,8,24H,6-7,9H2,1H3,(H,26,27)
InChIKeyDXYMZCBVYWAPIF-UHFFFAOYSA-N
MW400.35 g/mol
LogP0.89
Rot. Bonds5

About 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 69328585) has the molecular formula C18H16N4O7 and a molecular weight of 400.35 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID69328585
Molecular FormulaC18H16N4O7
Molecular Weight400.35 g/mol
Exact Mass400.10
IUPAC Name3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)O)cn32)no1
InChIInChI=1S/C18H16N4O7/c1-10-5-11(19-29-10)6-21-9-20(7-12-3-2-4-28-12)17(25)14-16(24)15(23)13(18(26)27)8-22(14)21/h2-5,8,24H,6-7,9H2,1H3,(H,26,27)
InChIKeyDXYMZCBVYWAPIF-UHFFFAOYSA-N
XLogP0.89
TPSA142.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 69328585) is 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is Cc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)O)cn32)no1.
What is the InChIKey of 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is DXYMZCBVYWAPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O7/c1-10-5-11(19-29-10)6-21-9-20(7-12-3-2-4-28-12)17(25)14-16(24)15(23)13(18(26)27)8-22(14)21/h2-5,8,24H,6-7,9H2,1H3,(H,26,27).
What are the key properties of 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 400.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 69328585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).