1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

C19H26N6O3 — CID 112946865

IUPAC1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CCNc2nncc(N3CCN(C(C)=O)CC3)n2)cc1OC
InChIInChI=1S/C19H26N6O3/c1-14(26)24-8-10-25(11-9-24)18-13-21-23-19(22-18)20-7-6-15-4-5-16(27-2)17(12-15)28-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,22,23)
InChIKeyBBUIJHZWERELHD-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.21
Rot. Bonds7

About 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (PubChem CID 112946865) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
PubChem CID112946865
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CCNc2nncc(N3CCN(C(C)=O)CC3)n2)cc1OC
InChIInChI=1S/C19H26N6O3/c1-14(26)24-8-10-25(11-9-24)18-13-21-23-19(22-18)20-7-6-15-4-5-16(27-2)17(12-15)28-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,22,23)
InChIKeyBBUIJHZWERELHD-UHFFFAOYSA-N
XLogP1.21
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
1-[4-[3-[3-(dimethylamino)propylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945597
1-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946846
N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842
N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954228
1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945249
N-[2-(3-methoxyphenyl)ethyl]-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954235
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 18144616
1-[3-[[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112956086
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938744
[4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112953780
1-[4-[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914848

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (CID 112946865) is 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is COc1ccc(CCNc2nncc(N3CCN(C(C)=O)CC3)n2)cc1OC.
What is the InChIKey of 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is BBUIJHZWERELHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-14(26)24-8-10-25(11-9-24)18-13-21-23-19(22-18)20-7-6-15-4-5-16(27-2)17(12-15)28-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,22,23).
What are the key properties of 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 386.46 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112946865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).