2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid

C12H15N3O4 — CID 156890090

IUPAC2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
SMILESCCCc1cc2c(=O)n(CC(=O)O)nc(OC)n2c1
InChIInChI=1S/C12H15N3O4/c1-3-4-8-5-9-11(18)15(7-10(16)17)13-12(19-2)14(9)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyAKSSRKQJOMOVKT-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.54
Rot. Bonds5

About 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid

2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid (PubChem CID 156890090) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
PubChem CID156890090
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
SMILESCCCc1cc2c(=O)n(CC(=O)O)nc(OC)n2c1
InChIInChI=1S/C12H15N3O4/c1-3-4-8-5-9-11(18)15(7-10(16)17)13-12(19-2)14(9)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyAKSSRKQJOMOVKT-UHFFFAOYSA-N
XLogP0.54
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid (CID 156890090) is 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid is CCCc1cc2c(=O)n(CC(=O)O)nc(OC)n2c1.
What is the InChIKey of 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The InChIKey is AKSSRKQJOMOVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-4-8-5-9-11(18)15(7-10(16)17)13-12(19-2)14(9)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-oxo-7-propylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid is sourced from PubChem (CID 156890090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).