6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

C20H17F3N6O2 — CID 58039456

IUPAC6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Nc3nc(NCc4ccccc4)nc(OCC(F)(F)F)n3)cc2N1
InChIInChI=1S/C20H17F3N6O2/c21-20(22,23)11-31-19-28-17(24-10-12-4-2-1-3-5-12)27-18(29-19)25-14-7-6-13-8-16(30)26-15(13)9-14/h1-7,9H,8,10-11H2,(H,26,30)(H2,24,25,27,28,29)
InChIKeyUXCOSHCHSVFZEL-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.66
Rot. Bonds7

About 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 58039456) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID58039456
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC Name6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Nc3nc(NCc4ccccc4)nc(OCC(F)(F)F)n3)cc2N1
InChIInChI=1S/C20H17F3N6O2/c21-20(22,23)11-31-19-28-17(24-10-12-4-2-1-3-5-12)27-18(29-19)25-14-7-6-13-8-16(30)26-15(13)9-14/h1-7,9H,8,10-11H2,(H,26,30)(H2,24,25,27,28,29)
InChIKeyUXCOSHCHSVFZEL-UHFFFAOYSA-N
XLogP3.66
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (CID 58039456) is 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2ccc(Nc3nc(NCc4ccccc4)nc(OCC(F)(F)F)n3)cc2N1.
What is the InChIKey of 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is UXCOSHCHSVFZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c21-20(22,23)11-31-19-28-17(24-10-12-4-2-1-3-5-12)27-18(29-19)25-14-7-6-13-8-16(30)26-15(13)9-14/h1-7,9H,8,10-11H2,(H,26,30)(H2,24,25,27,28,29).
What are the key properties of 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 430.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58039456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).