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

C8H7N3O4 — CID 135550694

IUPAC5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCOc1c(C(=O)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O4/c1-15-6-4(8(13)14)2-11-5(6)7(12)9-3-10-11/h2-3H,1H3,(H,13,14)(H,9,10,12)
InChIKeySVHGIRGYOIWFNP-UHFFFAOYSA-N
MW209.16 g/mol
LogP-0.27
Rot. Bonds2

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

5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 135550694) has the molecular formula C8H7N3O4 and a molecular weight of 209.16 g/mol. Its IUPAC name is 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID135550694
Molecular FormulaC8H7N3O4
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCOc1c(C(=O)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O4/c1-15-6-4(8(13)14)2-11-5(6)7(12)9-3-10-11/h2-3H,1H3,(H,13,14)(H,9,10,12)
InChIKeySVHGIRGYOIWFNP-UHFFFAOYSA-N
XLogP-0.27
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 135550694) is 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is COc1c(C(=O)O)cn2nc[nH]c(=O)c12.
What is the InChIKey of 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is SVHGIRGYOIWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4/c1-15-6-4(8(13)14)2-11-5(6)7(12)9-3-10-11/h2-3H,1H3,(H,13,14)(H,9,10,12).
What are the key properties of 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 209.16 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 135550694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).