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

C16H20BrN5 — CID 112960744

IUPACN-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1ccc(Nc2cnnc(N3CCCC(C)C3)n2)cc1Br
InChIInChI=1S/C16H20BrN5/c1-11-4-3-7-22(10-11)16-20-15(9-18-21-16)19-13-6-5-12(2)14(17)8-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,19,20,21)
InChIKeyQEIOPEISDPTRRC-UHFFFAOYSA-N
MW362.28 g/mol
LogP3.92
Rot. Bonds3

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

N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112960744) has the molecular formula C16H20BrN5 and a molecular weight of 362.28 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112960744
Molecular FormulaC16H20BrN5
Molecular Weight362.28 g/mol
Exact Mass361.09
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1ccc(Nc2cnnc(N3CCCC(C)C3)n2)cc1Br
InChIInChI=1S/C16H20BrN5/c1-11-4-3-7-22(10-11)16-20-15(9-18-21-16)19-13-6-5-12(2)14(17)8-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,19,20,21)
InChIKeyQEIOPEISDPTRRC-UHFFFAOYSA-N
XLogP3.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960779
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
N-(3-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960735
N-[2,6-di(propan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960786
N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942863
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 112960756
N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942900
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112960744) is N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is Cc1ccc(Nc2cnnc(N3CCCC(C)C3)n2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is QEIOPEISDPTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5/c1-11-4-3-7-22(10-11)16-20-15(9-18-21-16)19-13-6-5-12(2)14(17)8-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 362.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).