1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone

C16H20Cl2N6O — CID 76684304

IUPAC1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C16H20Cl2N6O/c1-12(25)23-8-6-22(7-9-23)5-4-19-16-11-24(21-20-16)13-2-3-14(17)15(18)10-13/h2-3,10-11,19H,4-9H2,1H3
InChIKeyXAGAEJWVAGEOND-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.15
Rot. Bonds5

About 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 76684304) has the molecular formula C16H20Cl2N6O and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
PubChem CID76684304
Molecular FormulaC16H20Cl2N6O
Molecular Weight383.28 g/mol
Exact Mass382.11
IUPAC Name1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C16H20Cl2N6O/c1-12(25)23-8-6-22(7-9-23)5-4-19-16-11-24(21-20-16)13-2-3-14(17)15(18)10-13/h2-3,10-11,19H,4-9H2,1H3
InChIKeyXAGAEJWVAGEOND-UHFFFAOYSA-N
XLogP2.15
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76073628
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683680
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683773
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76683982
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684104
N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 76684383
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-N-propyl-1H-1,2,3-triazol-4-amine
CID 76684475
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684477
1-(1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-1-(2-morpholinoethyl)-3-propylthiourea
CID 76684479
N-(3,4-dichlorophenyl)-4-(1H-1,2,3-triazol-1-yl)piperidine-1-carboxamide
CID 76151000

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone (CID 76684304) is 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCNc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1.
What is the InChIKey of 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is XAGAEJWVAGEOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6O/c1-12(25)23-8-6-22(7-9-23)5-4-19-16-11-24(21-20-16)13-2-3-14(17)15(18)10-13/h2-3,10-11,19H,4-9H2,1H3.
What are the key properties of 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 383.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 76684304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).