(2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol

C11H19N3O3 — CID 175997236

IUPAC(2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol
SMILESCO[C@]1(C)CCO[C@@H](C)[C@@]1(O)Cn1ccnn1
InChIInChI=1S/C11H19N3O3/c1-9-11(15,8-14-6-5-12-13-14)10(2,16-3)4-7-17-9/h5-6,9,15H,4,7-8H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeyFDMXTOXWSABWHZ-AXFHLTTASA-N
MW241.29 g/mol
LogP0.22
Rot. Bonds3

About (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol

(2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol (PubChem CID 175997236) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol
PubChem CID175997236
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol
SMILESCO[C@]1(C)CCO[C@@H](C)[C@@]1(O)Cn1ccnn1
InChIInChI=1S/C11H19N3O3/c1-9-11(15,8-14-6-5-12-13-14)10(2,16-3)4-7-17-9/h5-6,9,15H,4,7-8H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeyFDMXTOXWSABWHZ-AXFHLTTASA-N
XLogP0.22
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 174161051

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol?
The IUPAC name of (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol (CID 175997236) is (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol.
What is the SMILES notation for (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol?
The canonical SMILES for (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol is CO[C@]1(C)CCO[C@@H](C)[C@@]1(O)Cn1ccnn1.
What is the InChIKey of (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol?
The InChIKey is FDMXTOXWSABWHZ-AXFHLTTASA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9-11(15,8-14-6-5-12-13-14)10(2,16-3)4-7-17-9/h5-6,9,15H,4,7-8H2,1-3H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol?
(2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol has a molecular weight of 241.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-methoxy-2,4-dimethyl-3-(triazol-1-ylmethyl)oxan-3-ol is sourced from PubChem (CID 175997236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).