N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

C16H19Cl2N5O2 — CID 76684383

IUPACN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C16H19Cl2N5O2/c1-12(24)22(5-4-21-6-8-25-9-7-21)16-11-23(20-19-16)13-2-3-14(17)15(18)10-13/h2-3,10-11H,4-9H2,1H3
InChIKeyZRARDUFHMZPWRE-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.26
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 76684383) has the molecular formula C16H19Cl2N5O2 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID76684383
Molecular FormulaC16H19Cl2N5O2
Molecular Weight384.27 g/mol
Exact Mass383.09
IUPAC NameN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C16H19Cl2N5O2/c1-12(24)22(5-4-21-6-8-25-9-7-21)16-11-23(20-19-16)13-2-3-14(17)15(18)10-13/h2-3,10-11H,4-9H2,1H3
InChIKeyZRARDUFHMZPWRE-UHFFFAOYSA-N
XLogP2.26
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-[[1-(3,4-Dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 76684304
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-(1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(2-morpholinoethyl)methanesulfonamide
CID 76684473
N-(1-(3,4-dichlorophenyl)-1H-pyrazol-3-yl)-2-morpholinoacetamide
CID 24743570
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-4-(2,6-dimethylmorpholin-4-yl)butanamide
CID 57705453
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 57705454
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 57705491
1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
CID 76683772

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 76684383) is N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is CC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is ZRARDUFHMZPWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2/c1-12(24)22(5-4-21-6-8-25-9-7-21)16-11-23(20-19-16)13-2-3-14(17)15(18)10-13/h2-3,10-11H,4-9H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 384.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 76684383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).