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

C17H22BrN5 — CID 112960520

IUPACN-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H22BrN5/c1-3-14-6-4-5-9-23(14)17-21-16(11-19-22-17)20-13-8-7-12(2)15(18)10-13/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,20,21,22)
InChIKeyUIVUGHHSBDNELM-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.46
Rot. Bonds4

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

N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112960520) has the molecular formula C17H22BrN5 and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112960520
Molecular FormulaC17H22BrN5
Molecular Weight376.30 g/mol
Exact Mass375.11
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H22BrN5/c1-3-14-6-4-5-9-23(14)17-21-16(11-19-22-17)20-13-8-7-12(2)15(18)10-13/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,20,21,22)
InChIKeyUIVUGHHSBDNELM-UHFFFAOYSA-N
XLogP4.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744
3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112960520) is N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine is CCC1CCCCN1c1nncc(Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is UIVUGHHSBDNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5/c1-3-14-6-4-5-9-23(14)17-21-16(11-19-22-17)20-13-8-7-12(2)15(18)10-13/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 376.30 g/mol, XLogP of 4.46, 4 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-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).