3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one

C14H16N4O2 — CID 15111562

IUPAC3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one
SMILESCC1NC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H16N4O2/c1-7-11(17-18-13(20)15-7)8-4-5-10-9(6-8)14(2,3)12(19)16-10/h4-7H,1-3H3,(H,16,19)(H2,15,18,20)
InChIKeyFXGLUJHMJSFMFN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.32
Rot. Bonds1

About 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one

3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one (PubChem CID 15111562) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one
PubChem CID15111562
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one
SMILESCC1NC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H16N4O2/c1-7-11(17-18-13(20)15-7)8-4-5-10-9(6-8)14(2,3)12(19)16-10/h4-7H,1-3H3,(H,16,19)(H2,15,18,20)
InChIKeyFXGLUJHMJSFMFN-UHFFFAOYSA-N
XLogP1.32
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one with MolForge

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Related Compounds

Indolidan
CID 5284402
3,3-dimethyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
CID 10084561
2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl-
CID 184661
1,3,3-trimethyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 9994095
5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)spiro[1H-indole-3,1'-cyclopentane]-2-one
CID 13728290
5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 13728294
1,3,3-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 13785415
1,3-dihydro-5(3,6-dihydro-6-methyl-2-oxo-2H-1,3,4 thiadiazin-5-yl)-3,3 dimethyl-2H-indol-2-one
CID 15111517
5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-6-methyl-3,6-dihydro-1,3,4-selenadiazin-2-one
CID 15111563
3,3-dimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one;hydrate
CID 71461697
3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-
CID 5747174
3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
CID 10333396

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one (CID 15111562) is 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one is CC1NC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one?
The InChIKey is FXGLUJHMJSFMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-7-11(17-18-13(20)15-7)8-4-5-10-9(6-8)14(2,3)12(19)16-10/h4-7H,1-3H3,(H,16,19)(H2,15,18,20).
What are the key properties of 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one?
3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one is sourced from PubChem (CID 15111562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).