3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C14H10N4O2 — CID 10539663

IUPAC3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESCn1c2ccccc2n2c(=O)c(-c3ccco3)nnc12
InChIInChI=1S/C14H10N4O2/c1-17-9-5-2-3-6-10(9)18-13(19)12(15-16-14(17)18)11-7-4-8-20-11/h2-8H,1H3
InChIKeyGMLKSXNUABFTEI-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.84
Rot. Bonds1

About 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 10539663) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID10539663
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESCn1c2ccccc2n2c(=O)c(-c3ccco3)nnc12
InChIInChI=1S/C14H10N4O2/c1-17-9-5-2-3-6-10(9)18-13(19)12(15-16-14(17)18)11-7-4-8-20-11/h2-8H,1H3
InChIKeyGMLKSXNUABFTEI-UHFFFAOYSA-N
XLogP1.84
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-Benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 10641040
3-(Furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 10687707
10-(4-Chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 56964460
3-(Furan-2-yl)-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 57325914
7-Chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 57325915
3-(Furan-2-yl)-8-(2-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 53379611
8-(2,3-Dimethylphenyl)-3-(furan-2-yl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 53379612
3-(2-Furanyl)-8-(2,6-dichlorophenyl)-7,8-dihydroimidazo[2,1-c][1,2,4]triazin-4(6h)-one
CID 53379614
3-(Furan-2-yl)-8-(2-methoxyphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 53379615
3-(2-Furanyl)-8-(4-chlorophenyl)-7,8-dihydroimidazo[2,1-c][1,2,4]triazin-4(6h)-one
CID 56659191
3-(2-Furanyl)-8-(3,4-dichlorophenyl)-7,8-dihydroimidazo[2,1-c][1,2,4]triazin-4(6h)-one
CID 56666153
3-(Furan-2-yl)-8-(4-methylphenyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 56679717

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 10539663) is 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is Cn1c2ccccc2n2c(=O)c(-c3ccco3)nnc12.
What is the InChIKey of 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is GMLKSXNUABFTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-17-9-5-2-3-6-10(9)18-13(19)12(15-16-14(17)18)11-7-4-8-20-11/h2-8H,1H3.
What are the key properties of 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 266.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 10539663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).