2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

C19H30Cl2N6O2 — CID 120732720

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CN(C)Cc1nnc(C)n1C.Cl.Cl
InChIInChI=1S/C19H28N6O2.2ClH/c1-14-21-22-18(24(14)3)12-23(2)13-19(26)25-10-9-20-11-16(25)15-7-5-6-8-17(15)27-4;;/h5-8,16,20H,9-13H2,1-4H3;2*1H
InChIKeyXYDSJVISZLUJOM-UHFFFAOYSA-N
MW445.40 g/mol
LogP1.58
Rot. Bonds6

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 120732720) has the molecular formula C19H30Cl2N6O2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID120732720
Molecular FormulaC19H30Cl2N6O2
Molecular Weight445.40 g/mol
Exact Mass444.18
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CN(C)Cc1nnc(C)n1C.Cl.Cl
InChIInChI=1S/C19H28N6O2.2ClH/c1-14-21-22-18(24(14)3)12-23(2)13-19(26)25-10-9-20-11-16(25)15-7-5-6-8-17(15)27-4;;/h5-8,16,20H,9-13H2,1-4H3;2*1H
InChIKeyXYDSJVISZLUJOM-UHFFFAOYSA-N
XLogP1.58
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione;hydrochloride
CID 120733120
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 120732720) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)CN(C)Cc1nnc(C)n1C.Cl.Cl.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is XYDSJVISZLUJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.2ClH/c1-14-21-22-18(24(14)3)12-23(2)13-19(26)25-10-9-20-11-16(25)15-7-5-6-8-17(15)27-4;;/h5-8,16,20H,9-13H2,1-4H3;2*1H.
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 445.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120732720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).