1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride

C15H20Cl3N5O — CID 76683981

IUPAC1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride
SMILESCl.Clc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C15H19Cl2N5O.ClH/c16-13-3-2-12(10-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21;/h2-3,10-11,18H,1,4-9H2;1H
InChIKeySBJNZURUKCIBJE-UHFFFAOYSA-N
MW392.72 g/mol
LogP3.13
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride

1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride (PubChem CID 76683981) has the molecular formula C15H20Cl3N5O and a molecular weight of 392.72 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride
PubChem CID76683981
Molecular FormulaC15H20Cl3N5O
Molecular Weight392.72 g/mol
Exact Mass391.07
IUPAC Name1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride
SMILESCl.Clc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C15H19Cl2N5O.ClH/c16-13-3-2-12(10-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21;/h2-3,10-11,18H,1,4-9H2;1H
InChIKeySBJNZURUKCIBJE-UHFFFAOYSA-N
XLogP3.13
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-pyrazol-3-amine
CID 24743568
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-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683785
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
1-[4-[2-[[1-(3,4-Dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 76684304
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride (CID 76683981) is 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride is Cl.Clc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride?
The InChIKey is SBJNZURUKCIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5O.ClH/c16-13-3-2-12(10-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21;/h2-3,10-11,18H,1,4-9H2;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride?
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride has a molecular weight of 392.72 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride is sourced from PubChem (CID 76683981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).