3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid

C20H16N4O3 — CID 135531771

IUPAC3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid
SMILESO=C(O)CCc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C20H16N4O3/c25-16(26)12-11-15-19(27)22-20-21-17(13-7-3-1-4-8-13)18(24(20)23-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,25,26)(H,21,22,27)
InChIKeyUKCZVLWKRCIWHX-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.77
Rot. Bonds5

About 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid

3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid (PubChem CID 135531771) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid
PubChem CID135531771
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid
SMILESO=C(O)CCc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C20H16N4O3/c25-16(26)12-11-15-19(27)22-20-21-17(13-7-3-1-4-8-13)18(24(20)23-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,25,26)(H,21,22,27)
InChIKeyUKCZVLWKRCIWHX-UHFFFAOYSA-N
XLogP2.77
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
The IUPAC name of 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid (CID 135531771) is 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid is O=C(O)CCc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
The InChIKey is UKCZVLWKRCIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-16(26)12-11-15-19(27)22-20-21-17(13-7-3-1-4-8-13)18(24(20)23-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,25,26)(H,21,22,27).
What are the key properties of 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid?
3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid has a molecular weight of 360.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-2-yl)propanoic acid is sourced from PubChem (CID 135531771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).