5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

C15H21N3O7 — CID 91407078

IUPAC5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCOCCCN1CN(CCOC)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C15H21N3O7/c1-24-6-3-4-16-9-17(5-7-25-2)18-8-10(15(22)23)12(19)13(20)11(18)14(16)21/h8,20H,3-7,9H2,1-2H3,(H,22,23)
InChIKeyBVJCUGGITAURIE-UHFFFAOYSA-N
MW355.35 g/mol
LogP-0.71
Rot. Bonds8

About 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 91407078) has the molecular formula C15H21N3O7 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID91407078
Molecular FormulaC15H21N3O7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Name5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCOCCCN1CN(CCOC)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C15H21N3O7/c1-24-6-3-4-16-9-17(5-7-25-2)18-8-10(15(22)23)12(19)13(20)11(18)14(16)21/h8,20H,3-7,9H2,1-2H3,(H,22,23)
InChIKeyBVJCUGGITAURIE-UHFFFAOYSA-N
XLogP-0.71
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 91407078) is 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is COCCCN1CN(CCOC)n2cc(C(=O)O)c(=O)c(O)c2C1=O.
What is the InChIKey of 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is BVJCUGGITAURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O7/c1-24-6-3-4-16-9-17(5-7-25-2)18-8-10(15(22)23)12(19)13(20)11(18)14(16)21/h8,20H,3-7,9H2,1-2H3,(H,22,23).
What are the key properties of 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of -0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-methoxyethyl)-3-(3-methoxypropyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 91407078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).