3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid

C14H12N4O3 — CID 135420354

IUPAC3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid
SMILESO=C(O)CCc1nn2cc(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C14H12N4O3/c19-12(20)7-6-10-13(21)16-14-15-11(8-18(14)17-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,20)(H,15,16,21)
InChIKeyZSURWZCERICLCI-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.10
Rot. Bonds4

About 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid

3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid (PubChem CID 135420354) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid
PubChem CID135420354
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid
SMILESO=C(O)CCc1nn2cc(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C14H12N4O3/c19-12(20)7-6-10-13(21)16-14-15-11(8-18(14)17-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,20)(H,15,16,21)
InChIKeyZSURWZCERICLCI-UHFFFAOYSA-N
XLogP1.10
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
The IUPAC name of 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid (CID 135420354) is 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid is O=C(O)CCc1nn2cc(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
The InChIKey is ZSURWZCERICLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-12(20)7-6-10-13(21)16-14-15-11(8-18(14)17-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,20)(H,15,16,21).
What are the key properties of 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid has a molecular weight of 284.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-6-phenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid is sourced from PubChem (CID 135420354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).