N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine

C21H23N5 — CID 112962579

IUPACN-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1ccc(Nc2nncc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H23N5/c1-21(2,3)16-8-10-17(11-9-16)23-20-24-19(14-22-25-20)26-13-12-15-6-4-5-7-18(15)26/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)
InChIKeyFPUVQHDIHNUPHW-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.61
Rot. Bonds3

About N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine

N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112962579) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
PubChem CID112962579
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1ccc(Nc2nncc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H23N5/c1-21(2,3)16-8-10-17(11-9-16)23-20-24-19(14-22-25-20)26-13-12-15-6-4-5-7-18(15)26/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)
InChIKeyFPUVQHDIHNUPHW-UHFFFAOYSA-N
XLogP4.61
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8850862
5-((4-aminopiperidin-1-yl)methyl)-N-o-tolylpyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874402
5-((4-aminopiperidin-1-yl)methyl)-N-p-tolylpyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874431
N-(4-(4-methylpiperazin-1-yl)phenyl)-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497
(12) 1H-1,2,4-triazol-3-yl-anilines 4-tBu-(C6H4) 4-Pyridine
CID 57339843
N'-(5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpropane-1,3-diamine
CID 1963859
5-methyl-N-(4-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3794641
(E)-4-((2-(6-(1H-imidazol-1-yl)pyridazin-3-yl)hydrazono)methyl)-N,N-dimethylaniline
CID 9614391
6-[4-(4-methylpiperazin-1-yl)phenyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118711864
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475890
[8-(3-Dimethylamino-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-yl]-(4-piperidin-4-yl-phenyl)-amine
CID 59612573
N-[2-(dimethylamino)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1994152

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (CID 112962579) is N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is CC(C)(C)c1ccc(Nc2nncc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is FPUVQHDIHNUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-21(2,3)16-8-10-17(11-9-16)23-20-24-19(14-22-25-20)26-13-12-15-6-4-5-7-18(15)26/h4-11,14H,12-13H2,1-3H3,(H,23,24,25).
What are the key properties of N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112962579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).