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

C14H17BrN6 — CID 112945916

IUPACN-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccccc3Br)n2)CC1
InChIInChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)13-10-16-19-14(18-13)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,17,18,19)
InChIKeyKZZQHZGXQKIETO-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.13
Rot. Bonds3

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

N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112945916) has the molecular formula C14H17BrN6 and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112945916
Molecular FormulaC14H17BrN6
Molecular Weight349.24 g/mol
Exact Mass348.07
IUPAC NameN-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccccc3Br)n2)CC1
InChIInChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)13-10-16-19-14(18-13)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,17,18,19)
InChIKeyKZZQHZGXQKIETO-UHFFFAOYSA-N
XLogP2.13
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-yl)-N-(2-bromophenyl)-1,2,4-triazin-3-amine
CID 112961320
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
4-[3-(2-ethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946563
N-(2-ethylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958044
1-[4-[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946921
5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112945864
4-N,4-N-diethyl-2-methyl-1-N-[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]benzene-1,4-diamine
CID 112945940

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112945916) is N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is CN1CCN(c2cnnc(Nc3ccccc3Br)n2)CC1.
What is the InChIKey of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is KZZQHZGXQKIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)13-10-16-19-14(18-13)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,17,18,19).
What are the key properties of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 349.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).