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

C14H13N3O5S — CID 91016799

IUPAC5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCN1CN(Cc2cccs2)C(=O)c2c(O)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C14H13N3O5S/c1-15-7-16(5-8-3-2-4-23-8)13(20)10-12(19)11(18)9(14(21)22)6-17(10)15/h2-4,6,19H,5,7H2,1H3,(H,21,22)
InChIKeyHDYXVJIZBBRMMM-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.49
Rot. Bonds3

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

5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 91016799) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID91016799
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCN1CN(Cc2cccs2)C(=O)c2c(O)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C14H13N3O5S/c1-15-7-16(5-8-3-2-4-23-8)13(20)10-12(19)11(18)9(14(21)22)6-17(10)15/h2-4,6,19H,5,7H2,1H3,(H,21,22)
InChIKeyHDYXVJIZBBRMMM-UHFFFAOYSA-N
XLogP0.49
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 91016799) is 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is CN1CN(Cc2cccs2)C(=O)c2c(O)c(=O)c(C(=O)O)cn21.
What is the InChIKey of 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is HDYXVJIZBBRMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-15-7-16(5-8-3-2-4-23-8)13(20)10-12(19)11(18)9(14(21)22)6-17(10)15/h2-4,6,19H,5,7H2,1H3,(H,21,22).
What are the key properties of 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 335.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-4,6-dioxo-3-(thiophen-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 91016799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).