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

C15H10Cl2N4O2 — CID 56666153

IUPAC8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N4O2/c16-10-4-3-9(8-11(10)17)20-5-6-21-14(22)13(18-19-15(20)21)12-2-1-7-23-12/h1-4,7-8H,5-6H2
InChIKeyGVOFIOJCKVMGTH-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.36
Rot. Bonds2

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

8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 56666153) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID56666153
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N4O2/c16-10-4-3-9(8-11(10)17)20-5-6-21-14(22)13(18-19-15(20)21)12-2-1-7-23-12/h1-4,7-8H,5-6H2
InChIKeyGVOFIOJCKVMGTH-UHFFFAOYSA-N
XLogP3.36
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 56666153) is 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is O=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is GVOFIOJCKVMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-10-4-3-9(8-11(10)17)20-5-6-21-14(22)13(18-19-15(20)21)12-2-1-7-23-12/h1-4,7-8H,5-6H2.
What are the key properties of 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 349.18 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 56666153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).