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

C17H16N4O2 — CID 53379612

IUPAC8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCc1cccc(N2CCn3c2nnc(-c2ccco2)c3=O)c1C
InChIInChI=1S/C17H16N4O2/c1-11-5-3-6-13(12(11)2)20-8-9-21-16(22)15(18-19-17(20)21)14-7-4-10-23-14/h3-7,10H,8-9H2,1-2H3
InChIKeyDMRSIXAHQQHZHZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.67
Rot. Bonds2

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

8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 53379612) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID53379612
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCc1cccc(N2CCn3c2nnc(-c2ccco2)c3=O)c1C
InChIInChI=1S/C17H16N4O2/c1-11-5-3-6-13(12(11)2)20-8-9-21-16(22)15(18-19-17(20)21)14-7-4-10-23-14/h3-7,10H,8-9H2,1-2H3
InChIKeyDMRSIXAHQQHZHZ-UHFFFAOYSA-N
XLogP2.67
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 53379612) is 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is Cc1cccc(N2CCn3c2nnc(-c2ccco2)c3=O)c1C.
What is the InChIKey of 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is DMRSIXAHQQHZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-5-3-6-13(12(11)2)20-8-9-21-16(22)15(18-19-17(20)21)14-7-4-10-23-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 53379612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).