3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine

C19H28N6 — CID 112955377

IUPAC3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H28N6/c1-16(2)8-9-20-18-14-21-23-19(22-18)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,20,22,23)
InChIKeyOGHOGAWLGVQFAL-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.65
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine

3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine (PubChem CID 112955377) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
PubChem CID112955377
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H28N6/c1-16(2)8-9-20-18-14-21-23-19(22-18)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,20,22,23)
InChIKeyOGHOGAWLGVQFAL-UHFFFAOYSA-N
XLogP2.65
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
N-[3-(4-benzylpiperazin-1-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112945449
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944274
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942226
3-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112955393
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941265
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-1,2,4-triazin-5-amine
CID 112955407
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945981

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine (CID 112955377) is 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine is CC(C)CCNc1cnnc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
The InChIKey is OGHOGAWLGVQFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-16(2)8-9-20-18-14-21-23-19(22-18)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,20,22,23).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine has a molecular weight of 340.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112955377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).