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

C14H16N4O — CID 114389230

IUPAC2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1-c1nccnn1)CC(C)(C)CC2=O
InChIInChI=1S/C14H16N4O/c1-9-6-10-11(7-14(2,3)8-12(10)19)18(9)13-15-4-5-16-17-13/h4-6H,7-8H2,1-3H3
InChIKeyDBWHIBWSKRQYMW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.13
Rot. Bonds1

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

2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one (PubChem CID 114389230) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
PubChem CID114389230
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1-c1nccnn1)CC(C)(C)CC2=O
InChIInChI=1S/C14H16N4O/c1-9-6-10-11(7-14(2,3)8-12(10)19)18(9)13-15-4-5-16-17-13/h4-6H,7-8H2,1-3H3
InChIKeyDBWHIBWSKRQYMW-UHFFFAOYSA-N
XLogP2.13
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one?
The IUPAC name of 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one (CID 114389230) is 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one?
The canonical SMILES for 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one is Cc1cc2c(n1-c1nccnn1)CC(C)(C)CC2=O.
What is the InChIKey of 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one?
The InChIKey is DBWHIBWSKRQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-6-10-11(7-14(2,3)8-12(10)19)18(9)13-15-4-5-16-17-13/h4-6H,7-8H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one?
2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 114389230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).