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

C19H18BrN5 — CID 112962828

IUPACN-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
SMILESCc1cc(Nc2nncc(N3CCCc4ccccc43)n2)ccc1Br
InChIInChI=1S/C19H18BrN5/c1-13-11-15(8-9-16(13)20)22-19-23-18(12-21-24-19)25-10-4-6-14-5-2-3-7-17(14)25/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,22,23,24)
InChIKeyKPDUUQOHVFGUKK-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.77
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112962828) has the molecular formula C19H18BrN5 and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112962828
Molecular FormulaC19H18BrN5
Molecular Weight396.29 g/mol
Exact Mass395.07
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
SMILESCc1cc(Nc2nncc(N3CCCc4ccccc43)n2)ccc1Br
InChIInChI=1S/C19H18BrN5/c1-13-11-15(8-9-16(13)20)22-19-23-18(12-21-24-19)25-10-4-6-14-5-2-3-7-17(14)25/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,22,23,24)
InChIKeyKPDUUQOHVFGUKK-UHFFFAOYSA-N
XLogP4.77
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
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-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962778
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962832
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112962799
5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112962568
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
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
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine (CID 112962828) is N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine is Cc1cc(Nc2nncc(N3CCCc4ccccc43)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is KPDUUQOHVFGUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5/c1-13-11-15(8-9-16(13)20)22-19-23-18(12-21-24-19)25-10-4-6-14-5-2-3-7-17(14)25/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,22,23,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 396.29 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112962828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).