8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

C15H11ClN4O2 — CID 56659191

IUPAC8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O2/c16-10-3-5-11(6-4-10)19-7-8-20-14(21)13(17-18-15(19)20)12-2-1-9-22-12/h1-6,9H,7-8H2
InChIKeyBEKNSOYWIPPWQY-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.70
Rot. Bonds2

About 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 56659191) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID56659191
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O2/c16-10-3-5-11(6-4-10)19-7-8-20-14(21)13(17-18-15(19)20)12-2-1-9-22-12/h1-6,9H,7-8H2
InChIKeyBEKNSOYWIPPWQY-UHFFFAOYSA-N
XLogP2.70
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 56659191) is 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is O=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is BEKNSOYWIPPWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-10-3-5-11(6-4-10)19-7-8-20-14(21)13(17-18-15(19)20)12-2-1-9-22-12/h1-6,9H,7-8H2.
What are the key properties of 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 314.73 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 56659191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).