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

C21H23N5 — CID 112964738

IUPAC5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)c1ccccc1Nc1nncc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H23N5/c1-14(2)17-9-5-6-10-18(17)23-21-24-20(13-22-25-21)26-15(3)12-16-8-4-7-11-19(16)26/h4-11,13-15H,12H2,1-3H3,(H,23,24,25)
InChIKeyODFGLCBRTPJTQD-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.82
Rot. Bonds4

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

5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112964738) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
PubChem CID112964738
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)c1ccccc1Nc1nncc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H23N5/c1-14(2)17-9-5-6-10-18(17)23-21-24-20(13-22-25-21)26-15(3)12-16-8-4-7-11-19(16)26/h4-11,13-15H,12H2,1-3H3,(H,23,24,25)
InChIKeyODFGLCBRTPJTQD-UHFFFAOYSA-N
XLogP4.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
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-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112969051
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
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
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone
CID 109267896
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 112927146
N-(2-fluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929425

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine (CID 112964738) is 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine is CC(C)c1ccccc1Nc1nncc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is ODFGLCBRTPJTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-14(2)17-9-5-6-10-18(17)23-21-24-20(13-22-25-21)26-15(3)12-16-8-4-7-11-19(16)26/h4-11,13-15H,12H2,1-3H3,(H,23,24,25).
What are the key properties of 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112964738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).