5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine

C24H21N5O — CID 112969051

IUPAC5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H21N5O/c1-17-15-18-7-5-6-10-22(18)29(17)23-16-25-28-24(27-23)26-19-11-13-21(14-12-19)30-20-8-3-2-4-9-20/h2-14,16-17H,15H2,1H3,(H,26,27,28)
InChIKeySYJYWEUIJUTVTI-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.49
Rot. Bonds5

About 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine

5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 112969051) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID112969051
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H21N5O/c1-17-15-18-7-5-6-10-22(18)29(17)23-16-25-28-24(27-23)26-19-11-13-21(14-12-19)30-20-8-3-2-4-9-20/h2-14,16-17H,15H2,1H3,(H,26,27,28)
InChIKeySYJYWEUIJUTVTI-UHFFFAOYSA-N
XLogP5.49
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969500
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
CID 112968929
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
CID 112969041
5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112969505
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112964738
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112905248
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948181
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine (CID 112969051) is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine is CC1Cc2ccccc2N1c1cnnc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is SYJYWEUIJUTVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-17-15-18-7-5-6-10-22(18)29(17)23-16-25-28-24(27-23)26-19-11-13-21(14-12-19)30-20-8-3-2-4-9-20/h2-14,16-17H,15H2,1H3,(H,26,27,28).
What are the key properties of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 395.47 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112969051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).