3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C19H12N4O2 — CID 10687707

IUPAC3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12
InChIInChI=1S/C19H12N4O2/c24-18-17(16-11-6-12-25-16)20-21-19-22(13-7-2-1-3-8-13)14-9-4-5-10-15(14)23(18)19/h1-12H
InChIKeyAWLXMIOPONXPFQ-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.29
Rot. Bonds2

About 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 10687707) has the molecular formula C19H12N4O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID10687707
Molecular FormulaC19H12N4O2
Molecular Weight328.33 g/mol
Exact Mass328.10
IUPAC Name3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12
InChIInChI=1S/C19H12N4O2/c24-18-17(16-11-6-12-25-16)20-21-19-22(13-7-2-1-3-8-13)14-9-4-5-10-15(14)23(18)19/h1-12H
InChIKeyAWLXMIOPONXPFQ-UHFFFAOYSA-N
XLogP3.29
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 10687707) is 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12.
What is the InChIKey of 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is AWLXMIOPONXPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2/c24-18-17(16-11-6-12-25-16)20-21-19-22(13-7-2-1-3-8-13)14-9-4-5-10-15(14)23(18)19/h1-12H.
What are the key properties of 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 328.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 10687707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).