N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine

C22H25N5 — CID 112962778

IUPACN-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1ccc(Nc2nncc(N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C22H25N5/c1-22(2,3)17-10-12-18(13-11-17)24-21-25-20(15-23-26-21)27-14-6-8-16-7-4-5-9-19(16)27/h4-5,7,9-13,15H,6,8,14H2,1-3H3,(H,24,25,26)
InChIKeyZIQAIBWCYVMNPL-UHFFFAOYSA-N
MW359.48 g/mol
LogP5.00
Rot. Bonds3

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

N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112962778) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112962778
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1ccc(Nc2nncc(N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C22H25N5/c1-22(2,3)17-10-12-18(13-11-17)24-21-25-20(15-23-26-21)27-14-6-8-16-7-4-5-9-19(16)27/h4-5,7,9-13,15H,6,8,14H2,1-3H3,(H,24,25,26)
InChIKeyZIQAIBWCYVMNPL-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

N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962828
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962832
4-[[5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962656
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
N-(2-bromo-4-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962826
N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955475
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112962799
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953804

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine (CID 112962778) is N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine is CC(C)(C)c1ccc(Nc2nncc(N3CCCc4ccccc43)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is ZIQAIBWCYVMNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-22(2,3)17-10-12-18(13-11-17)24-21-25-20(15-23-26-21)27-14-6-8-16-7-4-5-9-19(16)27/h4-5,7,9-13,15H,6,8,14H2,1-3H3,(H,24,25,26).
What are the key properties of N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-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-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112962778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).