5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

C11H13N3O3 — CID 58328232

IUPAC5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCCCn1cnn2cc(C(=O)O)c(C)c2c1=O
InChIInChI=1S/C11H13N3O3/c1-3-4-13-6-12-14-5-8(11(16)17)7(2)9(14)10(13)15/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyXWMMNWCLTMZETI-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.91
Rot. Bonds3

About 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 58328232) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID58328232
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCCCn1cnn2cc(C(=O)O)c(C)c2c1=O
InChIInChI=1S/C11H13N3O3/c1-3-4-13-6-12-14-5-8(11(16)17)7(2)9(14)10(13)15/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyXWMMNWCLTMZETI-UHFFFAOYSA-N
XLogP0.91
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 58328232) is 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is CCCn1cnn2cc(C(=O)O)c(C)c2c1=O.
What is the InChIKey of 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is XWMMNWCLTMZETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-4-13-6-12-14-5-8(11(16)17)7(2)9(14)10(13)15/h5-6H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 58328232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).