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

C14H18N6 — CID 112945843

IUPAC5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C14H18N6/c1-19-7-9-20(10-8-19)13-11-15-18-14(17-13)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,18)
InChIKeyFFHWJGSYMPTGPC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.37
Rot. Bonds3

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

5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine (PubChem CID 112945843) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
PubChem CID112945843
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
SMILESCN1CCN(c2cnnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C14H18N6/c1-19-7-9-20(10-8-19)13-11-15-18-14(17-13)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,18)
InChIKeyFFHWJGSYMPTGPC-UHFFFAOYSA-N
XLogP1.37
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945916
N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955475
5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112946268
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945921
5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112945864
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
1-N-[5-(4-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112955359
N-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957601
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine (CID 112945843) is 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine is CN1CCN(c2cnnc(Nc3ccccc3)n2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine?
The InChIKey is FFHWJGSYMPTGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-19-7-9-20(10-8-19)13-11-15-18-14(17-13)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,18).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine?
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine has a molecular weight of 270.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).