1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

C16H20N4O — CID 114389225

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1nnc(-n2c(C)cc3c2CC(C)(C)CC3=O)nc1C
InChIInChI=1S/C16H20N4O/c1-9-6-12-13(7-16(4,5)8-14(12)21)20(9)15-17-10(2)11(3)18-19-15/h6H,7-8H2,1-5H3
InChIKeyZOFBYGKSRAOQEE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.74
Rot. Bonds1

About 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 114389225) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID114389225
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1nnc(-n2c(C)cc3c2CC(C)(C)CC3=O)nc1C
InChIInChI=1S/C16H20N4O/c1-9-6-12-13(7-16(4,5)8-14(12)21)20(9)15-17-10(2)11(3)18-19-15/h6H,7-8H2,1-5H3
InChIKeyZOFBYGKSRAOQEE-UHFFFAOYSA-N
XLogP2.74
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one with MolForge

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Related Compounds

2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
CID 114389230
1-(1,3-dimethylpyrazol-4-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 102807165
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
1-(3,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 3247774
2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one
CID 107649034
1-(2-bromophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267556
1-(3-bromo-5-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 107577908
4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide
CID 66953002
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267551
1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63466771
1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63467131
2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 11856028

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (CID 114389225) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1nnc(-n2c(C)cc3c2CC(C)(C)CC3=O)nc1C.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is ZOFBYGKSRAOQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9-6-12-13(7-16(4,5)8-14(12)21)20(9)15-17-10(2)11(3)18-19-15/h6H,7-8H2,1-5H3.
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 284.36 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 114389225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).