(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine

C13H15ClN4O — CID 118936318

IUPAC(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine
SMILESClc1cc(C[C@@H]2COCCN2)cc(-n2nccn2)c1
InChIInChI=1S/C13H15ClN4O/c14-11-5-10(6-12-9-19-4-3-15-12)7-13(8-11)18-16-1-2-17-18/h1-2,5,7-8,12,15H,3-4,6,9H2/t12-/m1/s1
InChIKeyJDIGPSZPEBQEHT-GFCCVEGCSA-N
MW278.74 g/mol
LogP1.45
Rot. Bonds3

About (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine

(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine (PubChem CID 118936318) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine
PubChem CID118936318
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine
SMILESClc1cc(C[C@@H]2COCCN2)cc(-n2nccn2)c1
InChIInChI=1S/C13H15ClN4O/c14-11-5-10(6-12-9-19-4-3-15-12)7-13(8-11)18-16-1-2-17-18/h1-2,5,7-8,12,15H,3-4,6,9H2/t12-/m1/s1
InChIKeyJDIGPSZPEBQEHT-GFCCVEGCSA-N
XLogP1.45
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine
CID 118117845
3-[[2-Fluoro-3-(2H-1,2,3-triazol-2-yl)phenyl]methyl]morpholine
CID 118935879
3-[[3-Fluoro-5-(2H-1,2,3-triazol-2-yl)phenyl]methyl]morpholine
CID 118936026
(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
CID 118936077
3-[[2-Fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
CID 118936079
3-Methyl-3-[[3-(2H-1,2,3-triazol-2-yl)phenyl]methyl]morpholine
CID 89560030
(5S)-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-3-one
CID 89560495
5-[[3-(Triazol-2-yl)phenyl]methyl]morpholin-3-one
CID 89560498
(3S)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine
CID 89560537
3-[[3-(Triazol-2-yl)phenyl]methyl]morpholine
CID 89560539
(2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine
CID 118117180
(R)-3-(3-(2H-1,2,3-Triazol-2-YL)benzyl)morpholine
CID 118117312

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The IUPAC name of (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine (CID 118936318) is (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine is Clc1cc(C[C@@H]2COCCN2)cc(-n2nccn2)c1.
What is the InChIKey of (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The InChIKey is JDIGPSZPEBQEHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-11-5-10(6-12-9-19-4-3-15-12)7-13(8-11)18-16-1-2-17-18/h1-2,5,7-8,12,15H,3-4,6,9H2/t12-/m1/s1.
What are the key properties of (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine?
(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine has a molecular weight of 278.74 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 118936318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).