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

C24H21N5O — CID 112969041

IUPAC3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
SMILESCC1Cc2ccccc2N1c1nncc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H21N5O/c1-17-15-18-7-5-6-10-22(18)29(17)24-27-23(16-25-28-24)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)
InChIKeyFNAKBTVXCNFRBT-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.49
Rot. Bonds5

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

3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine (PubChem CID 112969041) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
PubChem CID112969041
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
SMILESCC1Cc2ccccc2N1c1nncc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H21N5O/c1-17-15-18-7-5-6-10-22(18)29(17)24-27-23(16-25-28-24)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)
InChIKeyFNAKBTVXCNFRBT-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

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Related Compounds

5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112969051
N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112969508
N-(5-chloro-2-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966302
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966744
N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112950861
4-[5-(4-phenoxyanilino)-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946795
N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967421
N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112931696
N-[2-(3-chlorophenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112961100
4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969500

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine (CID 112969041) is 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine is CC1Cc2ccccc2N1c1nncc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine?
The InChIKey is FNAKBTVXCNFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-17-15-18-7-5-6-10-22(18)29(17)24-27-23(16-25-28-24)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 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine?
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-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 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112969041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).