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

C14H18N4O — CID 118117180

IUPAC(2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine
SMILESC[C@H]1CN[C@H](Cc2cccc(-n3nccn3)c2)CO1
InChIInChI=1S/C14H18N4O/c1-11-9-15-13(10-19-11)7-12-3-2-4-14(8-12)18-16-5-6-17-18/h2-6,8,11,13,15H,7,9-10H2,1H3/t11-,13+/m0/s1
InChIKeyKDCNSORPXSBMLO-WCQYABFASA-N
MW258.32 g/mol
LogP1.19
Rot. Bonds3

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

(2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine (PubChem CID 118117180) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine
PubChem CID118117180
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine
SMILESC[C@H]1CN[C@H](Cc2cccc(-n3nccn3)c2)CO1
InChIInChI=1S/C14H18N4O/c1-11-9-15-13(10-19-11)7-12-3-2-4-14(8-12)18-16-5-6-17-18/h2-6,8,11,13,15H,7,9-10H2,1H3/t11-,13+/m0/s1
InChIKeyKDCNSORPXSBMLO-WCQYABFASA-N
XLogP1.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The IUPAC name of (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine (CID 118117180) is (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine is C[C@H]1CN[C@H](Cc2cccc(-n3nccn3)c2)CO1.
What is the InChIKey of (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The InChIKey is KDCNSORPXSBMLO-WCQYABFASA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-15-13(10-19-11)7-12-3-2-4-14(8-12)18-16-5-6-17-18/h2-6,8,11,13,15H,7,9-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
(2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine has a molecular weight of 258.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 118117180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).