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

C13H16N4O — CID 118117312

IUPAC(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine
SMILESc1cc(C[C@@H]2COCCN2)cc(-n2nccn2)c1
InChIInChI=1S/C13H16N4O/c1-2-11(8-12-10-18-7-6-14-12)9-13(3-1)17-15-4-5-16-17/h1-5,9,12,14H,6-8,10H2/t12-/m1/s1
InChIKeyNWHWYMIXXIXEKN-GFCCVEGCSA-N
MW244.30 g/mol
LogP0.80
Rot. Bonds3

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

(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine (PubChem CID 118117312) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine
PubChem CID118117312
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine
SMILESc1cc(C[C@@H]2COCCN2)cc(-n2nccn2)c1
InChIInChI=1S/C13H16N4O/c1-2-11(8-12-10-18-7-6-14-12)9-13(3-1)17-15-4-5-16-17/h1-5,9,12,14H,6-8,10H2/t12-/m1/s1
InChIKeyNWHWYMIXXIXEKN-GFCCVEGCSA-N
XLogP0.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The IUPAC name of (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine (CID 118117312) is (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine is c1cc(C[C@@H]2COCCN2)cc(-n2nccn2)c1.
What is the InChIKey of (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
The InChIKey is NWHWYMIXXIXEKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11(8-12-10-18-7-6-14-12)9-13(3-1)17-15-4-5-16-17/h1-5,9,12,14H,6-8,10H2/t12-/m1/s1.
What are the key properties of (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine?
(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine has a molecular weight of 244.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 118117312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).