5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole

C9H15N3O2 — CID 59898023

IUPAC5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole
SMILESCOC1O[C@H](c2ncn[nH]2)[C@@H](C)[C@H]1C
InChIInChI=1S/C9H15N3O2/c1-5-6(2)9(13-3)14-7(5)8-10-4-11-12-8/h4-7,9H,1-3H3,(H,10,11,12)/t5-,6+,7-,9?/m0/s1
InChIKeyBVJJALPXXOYXBW-WPRFRAJKSA-N
MW197.24 g/mol
LogP1.12
Rot. Bonds2

About 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole

5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole (PubChem CID 59898023) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole
PubChem CID59898023
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole
SMILESCOC1O[C@H](c2ncn[nH]2)[C@@H](C)[C@H]1C
InChIInChI=1S/C9H15N3O2/c1-5-6(2)9(13-3)14-7(5)8-10-4-11-12-8/h4-7,9H,1-3H3,(H,10,11,12)/t5-,6+,7-,9?/m0/s1
InChIKeyBVJJALPXXOYXBW-WPRFRAJKSA-N
XLogP1.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole (CID 59898023) is 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole is COC1O[C@H](c2ncn[nH]2)[C@@H](C)[C@H]1C.
What is the InChIKey of 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole?
The InChIKey is BVJJALPXXOYXBW-WPRFRAJKSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5-6(2)9(13-3)14-7(5)8-10-4-11-12-8/h4-7,9H,1-3H3,(H,10,11,12)/t5-,6+,7-,9?/m0/s1.
What are the key properties of 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole?
5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole has a molecular weight of 197.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,4R)-5-methoxy-3,4-dimethyloxolan-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 59898023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).