N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine

C15H18BrN5 — CID 112942900

IUPACN-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CCN(c2nncc(Nc3cccc(Br)c3)n2)CC1
InChIInChI=1S/C15H18BrN5/c1-11-5-7-21(8-6-11)15-19-14(10-17-20-15)18-13-4-2-3-12(16)9-13/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
InChIKeyKWVGCZXCLROXMR-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.61
Rot. Bonds3

About N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine

N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112942900) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112942900
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC NameN-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CCN(c2nncc(Nc3cccc(Br)c3)n2)CC1
InChIInChI=1S/C15H18BrN5/c1-11-5-7-21(8-6-11)15-19-14(10-17-20-15)18-13-4-2-3-12(16)9-13/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
InChIKeyKWVGCZXCLROXMR-UHFFFAOYSA-N
XLogP3.61
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942863
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942855
N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
CID 112941370
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744
methyl 3-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]benzoate
CID 112942135
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942873
3-(azepan-1-yl)-N-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 112961392
3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
CID 112946446
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300
N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910303
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112942900) is N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is CC1CCN(c2nncc(Nc3cccc(Br)c3)n2)CC1.
What is the InChIKey of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is KWVGCZXCLROXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-11-5-7-21(8-6-11)15-19-14(10-17-20-15)18-13-4-2-3-12(16)9-13/h2-4,9-11H,5-8H2,1H3,(H,18,19,20).
What are the key properties of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 348.25 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).