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

C14H17BrN6 — CID 112945917

IUPACN-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3cccc(Br)c3)n2)CC1
InChIInChI=1S/C14H17BrN6/c1-20-5-7-21(8-6-20)13-10-16-19-14(18-13)17-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeySSSXDKFIVXYNRV-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.13
Rot. Bonds3

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

N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112945917) has the molecular formula C14H17BrN6 and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112945917
Molecular FormulaC14H17BrN6
Molecular Weight349.24 g/mol
Exact Mass348.07
IUPAC NameN-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3cccc(Br)c3)n2)CC1
InChIInChI=1S/C14H17BrN6/c1-20-5-7-21(8-6-20)13-10-16-19-14(18-13)17-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeySSSXDKFIVXYNRV-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-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945916
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945921
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine
CID 112957426
5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
CID 112946238
5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112945864
N-(3-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958087
N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957363
3-[[5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112946298
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112945917) is N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is CN1CCN(c2cnnc(Nc3cccc(Br)c3)n2)CC1.
What is the InChIKey of N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is SSSXDKFIVXYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6/c1-20-5-7-21(8-6-20)13-10-16-19-14(18-13)17-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-(3-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-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).