(1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine

C16H22ClN5OS — CID 126453256

IUPAC(1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine
SMILESC[C@@H](N)c1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN5OS/c1-12(18)15-19-20-16(22(15)14-4-2-3-13(17)11-14)24-10-7-21-5-8-23-9-6-21/h2-4,11-12H,5-10,18H2,1H3/t12-/m1/s1
InChIKeyAOIYMGCZIIMWMP-GFCCVEGCSA-N
MW367.91 g/mol
LogP2.36
Rot. Bonds6

About (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine

(1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 126453256) has the molecular formula C16H22ClN5OS and a molecular weight of 367.91 g/mol. Its IUPAC name is (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID126453256
Molecular FormulaC16H22ClN5OS
Molecular Weight367.91 g/mol
Exact Mass367.12
IUPAC Name(1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine
SMILESC[C@@H](N)c1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN5OS/c1-12(18)15-19-20-16(22(15)14-4-2-3-13(17)11-14)24-10-7-21-5-8-23-9-6-21/h2-4,11-12H,5-10,18H2,1H3/t12-/m1/s1
InChIKeyAOIYMGCZIIMWMP-GFCCVEGCSA-N
XLogP2.36
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.91
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine with MolForge

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Related Compounds

4-chloro-N-[[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline
CID 1151923
4-[4-(3-chlorophenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 1374593
3-[4-(3-chlorophenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 1133335
4-[2-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 42977431
3-(2-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 30861342
4-(3-chlorophenyl)-3-(2-ethoxyethylsulfanyl)-5-pyrrolidin-1-yl-1,2,4-triazole
CID 60604484
2-[[4-(3-chlorophenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 3213596
7-chloro-3-(2-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)quinazolin-4-one
CID 29461068
[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63315585
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
4-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 39967379
6-hydroxy-5-(3-methylbutyl)-2-(2-morpholin-4-ylethylsulfanyl)-3-phenylpyrimidin-4-one
CID 135438914

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine (CID 126453256) is (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine is C[C@@H](N)c1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is AOIYMGCZIIMWMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22ClN5OS/c1-12(18)15-19-20-16(22(15)14-4-2-3-13(17)11-14)24-10-7-21-5-8-23-9-6-21/h2-4,11-12H,5-10,18H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine?
(1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 367.91 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 126453256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).