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

C16H14N4O2 — CID 56679717

IUPAC3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCc1ccc(N2CCn3c2nnc(-c2ccco2)c3=O)cc1
InChIInChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)19-8-9-20-15(21)14(17-18-16(19)20)13-3-2-10-22-13/h2-7,10H,8-9H2,1H3
InChIKeyFIRBXMUOBUEDOY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.36
Rot. Bonds2

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

3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 56679717) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID56679717
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCc1ccc(N2CCn3c2nnc(-c2ccco2)c3=O)cc1
InChIInChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)19-8-9-20-15(21)14(17-18-16(19)20)13-3-2-10-22-13/h2-7,10H,8-9H2,1H3
InChIKeyFIRBXMUOBUEDOY-UHFFFAOYSA-N
XLogP2.36
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.36
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)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 56679717) is 3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is Cc1ccc(N2CCn3c2nnc(-c2ccco2)c3=O)cc1.
What is the InChIKey of 3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is FIRBXMUOBUEDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)19-8-9-20-15(21)14(17-18-16(19)20)13-3-2-10-22-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
3-(furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 294.31 g/mol, XLogP of 2.36, 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)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 56679717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).