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

C8H7N3O3 — CID 135601396

IUPAC5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCc1c(C(=O)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O3/c1-4-5(8(13)14)2-11-6(4)7(12)9-3-10-11/h2-3H,1H3,(H,13,14)(H,9,10,12)
InChIKeySUEOMVYNPBJIDY-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.03
Rot. Bonds1

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

5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 135601396) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID135601396
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCc1c(C(=O)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O3/c1-4-5(8(13)14)2-11-6(4)7(12)9-3-10-11/h2-3H,1H3,(H,13,14)(H,9,10,12)
InChIKeySUEOMVYNPBJIDY-UHFFFAOYSA-N
XLogP0.03
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 135601396) is 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is Cc1c(C(=O)O)cn2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is SUEOMVYNPBJIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4-5(8(13)14)2-11-6(4)7(12)9-3-10-11/h2-3H,1H3,(H,13,14)(H,9,10,12).
What are the key properties of 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 135601396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).