[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride

C19H23Cl2N5O2 — CID 120733748

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc2nnc(C)n2c1.Cl.Cl
InChIInChI=1S/C19H21N5O2.2ClH/c1-13-21-22-18-8-7-14(12-24(13)18)19(25)23-10-9-20-11-16(23)15-5-3-4-6-17(15)26-2;;/h3-8,12,16,20H,9-11H2,1-2H3;2*1H
InChIKeyDEZZLUTZSPDZCE-UHFFFAOYSA-N
MW424.33 g/mol
LogP2.68
Rot. Bonds3

About [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride

[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride (PubChem CID 120733748) has the molecular formula C19H23Cl2N5O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
PubChem CID120733748
Molecular FormulaC19H23Cl2N5O2
Molecular Weight424.33 g/mol
Exact Mass423.12
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc2nnc(C)n2c1.Cl.Cl
InChIInChI=1S/C19H21N5O2.2ClH/c1-13-21-22-18-8-7-14(12-24(13)18)19(25)23-10-9-20-11-16(23)15-5-3-4-6-17(15)26-2;;/h3-8,12,16,20H,9-11H2,1-2H3;2*1H
InChIKeyDEZZLUTZSPDZCE-UHFFFAOYSA-N
XLogP2.68
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

imidazo[1,2-a]pyridin-6-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735170
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730315
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730316
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride (CID 120733748) is [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)c1ccc2nnc(C)n2c1.Cl.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride?
The InChIKey is DEZZLUTZSPDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.2ClH/c1-13-21-22-18-8-7-14(12-24(13)18)19(25)23-10-9-20-11-16(23)15-5-3-4-6-17(15)26-2;;/h3-8,12,16,20H,9-11H2,1-2H3;2*1H.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride?
[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride has a molecular weight of 424.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride is sourced from PubChem (CID 120733748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).