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

C15H18BrN5 — CID 112942863

IUPACN-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CCN(c2nncc(Nc3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C15H18BrN5/c1-11-6-8-21(9-7-11)15-19-14(10-17-20-15)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyDVSHIDRFBFKDGO-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.61
Rot. Bonds3

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

N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112942863) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112942863
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC NameN-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CCN(c2nncc(Nc3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C15H18BrN5/c1-11-6-8-21(9-7-11)15-19-14(10-17-20-15)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyDVSHIDRFBFKDGO-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-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942900
3-(azepan-1-yl)-N-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 112961392
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942855
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942873
3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine
CID 112946039
N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944290
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112942863) is N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is CC1CCN(c2nncc(Nc3ccc(Br)cc3)n2)CC1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is DVSHIDRFBFKDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-11-6-8-21(9-7-11)15-19-14(10-17-20-15)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19,20).
What are the key properties of N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-(4-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-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).