N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine

C18H26N6 — CID 112955533

IUPACN-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCCN(C)c1cnnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H26N6/c1-3-4-10-22(2)17-15-19-21-18(20-17)24-13-11-23(12-14-24)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyJDKPDZQTROTFOC-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.43
Rot. Bonds6

About N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112955533) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112955533
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCCN(C)c1cnnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H26N6/c1-3-4-10-22(2)17-15-19-21-18(20-17)24-13-11-23(12-14-24)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyJDKPDZQTROTFOC-UHFFFAOYSA-N
XLogP2.43
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[butyl(methyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946716
N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112949228
N-benzyl-N-methyl-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298525
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112923626
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112898403
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112955669
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327
N-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112925591
1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958111
2-(4-benzylpiperazin-1-yl)-N-butyl-N,6-dimethylpyrimidin-4-amine
CID 112922133
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
CID 112957635

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112955533) is N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is CCCCN(C)c1cnnc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is JDKPDZQTROTFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-3-4-10-22(2)17-15-19-21-18(20-17)24-13-11-23(12-14-24)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 326.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112955533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).