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

C15H18BrN5 — CID 112960779

IUPACN-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CCCN(c2nncc(Nc3ccccc3Br)n2)C1
InChIInChI=1S/C15H18BrN5/c1-11-5-4-8-21(10-11)15-19-14(9-17-20-15)18-13-7-3-2-6-12(13)16/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,18,19,20)
InChIKeyKWRZJRRKVJXCBS-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.61
Rot. Bonds3

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

N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112960779) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112960779
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC NameN-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1CCCN(c2nncc(Nc3ccccc3Br)n2)C1
InChIInChI=1S/C15H18BrN5/c1-11-5-4-8-21(10-11)15-19-14(9-17-20-15)18-13-7-3-2-6-12(13)16/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,18,19,20)
InChIKeyKWRZJRRKVJXCBS-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

3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 112960756
N-(2-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236
N-(3-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960735
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
N-[2,6-di(propan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960786
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112960779) is N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is CC1CCCN(c2nncc(Nc3ccccc3Br)n2)C1.
What is the InChIKey of N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is KWRZJRRKVJXCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-11-5-4-8-21(10-11)15-19-14(9-17-20-15)18-13-7-3-2-6-12(13)16/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,18,19,20).
What are the key properties of N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-(2-bromophenyl)-3-(3-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-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).