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

C16H20Cl3N5O2 — CID 76684382

IUPACN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
SMILESCC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1.Cl
InChIInChI=1S/C16H19Cl2N5O2.ClH/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;1H
InChIKeyARYVZWNZVNKKFQ-UHFFFAOYSA-N
MW420.73 g/mol
LogP2.68
Rot. Bonds5

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

N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (PubChem CID 76684382) has the molecular formula C16H20Cl3N5O2 and a molecular weight of 420.73 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
PubChem CID76684382
Molecular FormulaC16H20Cl3N5O2
Molecular Weight420.73 g/mol
Exact Mass419.07
IUPAC NameN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
SMILESCC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1.Cl
InChIInChI=1S/C16H19Cl2N5O2.ClH/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;1H
InChIKeyARYVZWNZVNKKFQ-UHFFFAOYSA-N
XLogP2.68
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.73
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
The IUPAC name of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (CID 76684382) is N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride is CC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1.Cl.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
The InChIKey is ARYVZWNZVNKKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2.ClH/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;1H.
What are the key properties of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride has a molecular weight of 420.73 g/mol, XLogP of 2.68, 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;hydrochloride is sourced from PubChem (CID 76684382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).