1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine

C15H19Cl2N5O — CID 76683777

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESClc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2
InChIKeyYDJMFRCIYYGGNA-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.38
Rot. Bonds6

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

1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 76683777) has the molecular formula C15H19Cl2N5O and a molecular weight of 356.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID76683777
Molecular FormulaC15H19Cl2N5O
Molecular Weight356.26 g/mol
Exact Mass355.10
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESClc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2
InChIKeyYDJMFRCIYYGGNA-UHFFFAOYSA-N
XLogP2.38
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-(2-(1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-ylamino)ethyl)piperazin-1-yl)ethanone
CID 76683576
1-[(3,4-dichlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683781
N-[2-(azepan-1-yl)ethyl]-1-[(3,4-dichlorophenyl)methyl]triazol-4-amine
CID 76683875
1-[(3,4-dichlorophenyl)methyl]-N-[2-(1,4-oxazepan-4-yl)ethyl]triazol-4-amine
CID 76684094
1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
N-(1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-N-(2-morpholinoethyl)acetamide
CID 76684306
1-[(3,4-dichlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76684564
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 90269112
1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683779
1-(3,4-dichlorobenzyl)-N-(3-(piperidin-1-yl)propyl)-1H-1,2,3-triazol-4-amine hydrochloride
CID 76683783
1-(3,4-dichlorobenzyl)-N-(3-(piperidin-1-yl)propyl)-N-propyl-1H-1,2,3-triazol-4-amine
CID 90269103
1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76684566

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 76683777) is 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine is Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is YDJMFRCIYYGGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 356.26 g/mol, XLogP of 2.38, 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)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).