2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid

C13H17N3O6 — CID 91153396

IUPAC2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
SMILESCCN1C(=O)c2c(O)c(=O)c(C(=O)O)cn2CN1CCOC
InChIInChI=1S/C13H17N3O6/c1-3-16-12(19)9-11(18)10(17)8(13(20)21)6-14(9)7-15(16)4-5-22-2/h6,18H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyQZHLJRLRYXZZEN-UHFFFAOYSA-N
MW311.29 g/mol
LogP-0.45
Rot. Bonds5

About 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid

2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid (PubChem CID 91153396) has the molecular formula C13H17N3O6 and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
PubChem CID91153396
Molecular FormulaC13H17N3O6
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
SMILESCCN1C(=O)c2c(O)c(=O)c(C(=O)O)cn2CN1CCOC
InChIInChI=1S/C13H17N3O6/c1-3-16-12(19)9-11(18)10(17)8(13(20)21)6-14(9)7-15(16)4-5-22-2/h6,18H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyQZHLJRLRYXZZEN-UHFFFAOYSA-N
XLogP-0.45
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 130255132
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
1-butyl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 90793046
2-ethyl-9-hydroxy-3,7-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione;9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione;10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 161396365
3,9-dihydroxy-2-(3-methoxypropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90869095
2-ethyl-9-hydroxy-3,7-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 130310690
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
4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 67471611
7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2-(2-methoxyethyl)-3-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 158428990
9-hydroxy-2-(2-hydroxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91540634
3,9-dihydroxy-1,8-dioxo-2-(2-phenoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91430889
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid (CID 91153396) is 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid is CCN1C(=O)c2c(O)c(=O)c(C(=O)O)cn2CN1CCOC.
What is the InChIKey of 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
The InChIKey is QZHLJRLRYXZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6/c1-3-16-12(19)9-11(18)10(17)8(13(20)21)6-14(9)7-15(16)4-5-22-2/h6,18H,3-5,7H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid?
2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-hydroxy-3-(2-methoxyethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 91153396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).