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

C15H10Cl2N4O2 — CID 53379614

IUPAC8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccco2)nnc2n1CCN2c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c16-9-3-1-4-10(17)13(9)20-6-7-21-14(22)12(18-19-15(20)21)11-5-2-8-23-11/h1-5,8H,6-7H2
InChIKeyIFWHMZDNWBIWNC-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.36
Rot. Bonds2

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

8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 53379614) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID53379614
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccco2)nnc2n1CCN2c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c16-9-3-1-4-10(17)13(9)20-6-7-21-14(22)12(18-19-15(20)21)11-5-2-8-23-11/h1-5,8H,6-7H2
InChIKeyIFWHMZDNWBIWNC-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-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 53379614) is 8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is O=c1c(-c2ccco2)nnc2n1CCN2c1c(Cl)cccc1Cl.
What is the InChIKey of 8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is IFWHMZDNWBIWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-9-3-1-4-10(17)13(9)20-6-7-21-14(22)12(18-19-15(20)21)11-5-2-8-23-11/h1-5,8H,6-7H2.
What are the key properties of 8-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
8-(2,6-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-(2,6-dichlorophenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 53379614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).