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

C15H21N3O6 — CID 90793046

IUPAC1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCCCCN1CN(CCOC)C(=O)c2c(O)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H21N3O6/c1-3-4-5-17-9-16(6-7-24-2)14(21)11-13(20)12(19)10(15(22)23)8-18(11)17/h8,20H,3-7,9H2,1-2H3,(H,22,23)
InChIKeyJKBKSLXFKNYURP-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.05
Rot. Bonds7

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

1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 90793046) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID90793046
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Name1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCCCCN1CN(CCOC)C(=O)c2c(O)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H21N3O6/c1-3-4-5-17-9-16(6-7-24-2)14(21)11-13(20)12(19)10(15(22)23)8-18(11)17/h8,20H,3-7,9H2,1-2H3,(H,22,23)
InChIKeyJKBKSLXFKNYURP-UHFFFAOYSA-N
XLogP0.05
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
5-hydroxy-3-(3-methoxypropyl)-4,6-dioxo-1-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 69324671
2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
CID 91153396
3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 70368524
5-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dioxo-3-(3-propan-2-yloxypropyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 91323662
4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 67471611
N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-1-[2-(methylamino)ethyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 67742424
1-benzyl-7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 159999564
N-[2-[7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazin-1-yl]ethyl]-N-methylacetamide
CID 148971316
7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 118591887
3,9-dihydroxy-2-(3-methoxypropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90869095
7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-3-(2-methoxyethyl)-1-(thiophen-3-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 147646990

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 90793046) is 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is CCCCN1CN(CCOC)C(=O)c2c(O)c(=O)c(C(=O)O)cn21.
What is the InChIKey of 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is JKBKSLXFKNYURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-3-4-5-17-9-16(6-7-24-2)14(21)11-13(20)12(19)10(15(22)23)8-18(11)17/h8,20H,3-7,9H2,1-2H3,(H,22,23).
What are the key properties of 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 90793046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).