3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine

C14H18ClN5OS — CID 30861342

IUPAC3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCCN2CCOCC2)nnc1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN5OS/c15-12-4-2-1-3-11(12)13-17-18-14(20(13)16)22-10-7-19-5-8-21-9-6-19/h1-4H,5-10,16H2
InChIKeyOOXMOJPRKJOXPK-UHFFFAOYSA-N
MW339.85 g/mol
LogP1.74
Rot. Bonds5

About 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine

3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 30861342) has the molecular formula C14H18ClN5OS and a molecular weight of 339.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID30861342
Molecular FormulaC14H18ClN5OS
Molecular Weight339.85 g/mol
Exact Mass339.09
IUPAC Name3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCCN2CCOCC2)nnc1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN5OS/c15-12-4-2-1-3-11(12)13-17-18-14(20(13)16)22-10-7-19-5-8-21-9-6-19/h1-4H,5-10,16H2
InChIKeyOOXMOJPRKJOXPK-UHFFFAOYSA-N
XLogP1.74
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylfuran-3-yl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 30861750
3-(2-chlorophenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-4-amine
CID 9119985
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 16591414
4-[2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]ethyl]morpholine
CID 864011
3-(2-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 84601584
3-(2-chlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 3810232
3-[3-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one
CID 2686070
4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
CID 126816696
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7184428
3-(2-chlorophenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 84601566
3-(2-chlorophenyl)-4-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione
CID 5044512
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 78457636

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine (CID 30861342) is 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine is Nn1c(SCCN2CCOCC2)nnc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is OOXMOJPRKJOXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5OS/c15-12-4-2-1-3-11(12)13-17-18-14(20(13)16)22-10-7-19-5-8-21-9-6-19/h1-4H,5-10,16H2.
What are the key properties of 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine?
3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 339.85 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 30861342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).