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

C22H25N5 — CID 112965361

IUPACN-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H25N5/c1-15-13-16-7-5-6-8-19(16)27(15)20-14-23-26-21(25-20)24-18-11-9-17(10-12-18)22(2,3)4/h5-12,14-15H,13H2,1-4H3,(H,24,25,26)
InChIKeyPPVURGSVYPBCAO-UHFFFAOYSA-N
MW359.48 g/mol
LogP5.00
Rot. Bonds3

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

N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112965361) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
PubChem CID112965361
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESCC1Cc2ccccc2N1c1cnnc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H25N5/c1-15-13-16-7-5-6-8-19(16)27(15)20-14-23-26-21(25-20)24-18-11-9-17(10-12-18)22(2,3)4/h5-12,14-15H,13H2,1-4H3,(H,24,25,26)
InChIKeyPPVURGSVYPBCAO-UHFFFAOYSA-N
XLogP5.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(12) 1H-1,2,4-triazol-3-yl-anilines 4-tBu-(C6H4) 4-Pyridine
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5-(2-ethylbenzimidazol-1-yl)-N-(4-methylphenyl)-1,2,4-triazin-3-amine
CID 118095488
5-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)-1,2,4-triazin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (CID 112965361) is N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is CC1Cc2ccccc2N1c1cnnc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is PPVURGSVYPBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-15-13-16-7-5-6-8-19(16)27(15)20-14-23-26-21(25-20)24-18-11-9-17(10-12-18)22(2,3)4/h5-12,14-15H,13H2,1-4H3,(H,24,25,26).
What are the key properties of N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 359.48 g/mol, XLogP of 5.00, 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-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112965361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).