1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride

C14H18Cl3N5O — CID 76683772

IUPAC1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C14H17Cl2N5O.ClH/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20;/h1-2,9-10,17H,3-8H2;1H
InChIKeyJKQMCVPIJXMBIV-UHFFFAOYSA-N
MW378.69 g/mol
LogP2.74
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride

1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride (PubChem CID 76683772) has the molecular formula C14H18Cl3N5O and a molecular weight of 378.69 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
PubChem CID76683772
Molecular FormulaC14H18Cl3N5O
Molecular Weight378.69 g/mol
Exact Mass377.06
IUPAC Name1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C14H17Cl2N5O.ClH/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20;/h1-2,9-10,17H,3-8H2;1H
InChIKeyJKQMCVPIJXMBIV-UHFFFAOYSA-N
XLogP2.74
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride (CID 76683772) is 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride is Cl.Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
The InChIKey is JKQMCVPIJXMBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O.ClH/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20;/h1-2,9-10,17H,3-8H2;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride has a molecular weight of 378.69 g/mol, XLogP of 2.74, 5 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-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride is sourced from PubChem (CID 76683772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).