2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid

C13H15FN4O3 — CID 166803146

IUPAC2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
SMILESCC(C)c1nn(CC(=O)O)c(=O)c2c(F)c(C3CC3)nn12
InChIInChI=1S/C13H15FN4O3/c1-6(2)12-16-17(5-8(19)20)13(21)11-9(14)10(7-3-4-7)15-18(11)12/h6-7H,3-5H2,1-2H3,(H,19,20)
InChIKeyPBKADYQRRBBELB-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.12
Rot. Bonds4

About 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid

2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid (PubChem CID 166803146) has the molecular formula C13H15FN4O3 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
PubChem CID166803146
Molecular FormulaC13H15FN4O3
Molecular Weight294.29 g/mol
Exact Mass294.11
IUPAC Name2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
SMILESCC(C)c1nn(CC(=O)O)c(=O)c2c(F)c(C3CC3)nn12
InChIInChI=1S/C13H15FN4O3/c1-6(2)12-16-17(5-8(19)20)13(21)11-9(14)10(7-3-4-7)15-18(11)12/h6-7H,3-5H2,1-2H3,(H,19,20)
InChIKeyPBKADYQRRBBELB-UHFFFAOYSA-N
XLogP1.12
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid (CID 166803146) is 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid is CC(C)c1nn(CC(=O)O)c(=O)c2c(F)c(C3CC3)nn12.
What is the InChIKey of 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The InChIKey is PBKADYQRRBBELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3/c1-6(2)12-16-17(5-8(19)20)13(21)11-9(14)10(7-3-4-7)15-18(11)12/h6-7H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid has a molecular weight of 294.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-3-fluoro-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid is sourced from PubChem (CID 166803146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).