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

C16H14N4O3 — CID 56669549

IUPAC3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCOc1ccc(N2CCn3c2nnc(-c2ccco2)c3=O)cc1
InChIInChI=1S/C16H14N4O3/c1-22-12-6-4-11(5-7-12)19-8-9-20-15(21)14(17-18-16(19)20)13-3-2-10-23-13/h2-7,10H,8-9H2,1H3
InChIKeyDEVOCKICDBDSSS-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.06
Rot. Bonds3

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

3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 56669549) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID56669549
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCOc1ccc(N2CCn3c2nnc(-c2ccco2)c3=O)cc1
InChIInChI=1S/C16H14N4O3/c1-22-12-6-4-11(5-7-12)19-8-9-20-15(21)14(17-18-16(19)20)13-3-2-10-23-13/h2-7,10H,8-9H2,1H3
InChIKeyDEVOCKICDBDSSS-UHFFFAOYSA-N
XLogP2.06
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 56669549) is 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is COc1ccc(N2CCn3c2nnc(-c2ccco2)c3=O)cc1.
What is the InChIKey of 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is DEVOCKICDBDSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-22-12-6-4-11(5-7-12)19-8-9-20-15(21)14(17-18-16(19)20)13-3-2-10-23-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 310.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-8-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 56669549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).