5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C7H9N5O2 — CID 62945301

IUPAC5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N5O2/c1-13-3-2-5-10-7(12-14-5)6-8-4-9-11-6/h4H,2-3H2,1H3,(H,8,9,11)
InChIKeyKKCOGCHBXNYASK-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.04
Rot. Bonds4

About 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62945301) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62945301
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N5O2/c1-13-3-2-5-10-7(12-14-5)6-8-4-9-11-6/h4H,2-3H2,1H3,(H,8,9,11)
InChIKeyKKCOGCHBXNYASK-UHFFFAOYSA-N
XLogP0.04
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-1,2,4-triazol-5-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 62946117
1,1-difluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345626
1,1,1-trifluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63346206
5-[2-(2,2-difluoroethoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 103212094
5-(2-methoxyethyl)-3-(4H-1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
CID 50964010
5-tert-butyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944122
5-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944124
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946634
(2S)-2-amino-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 28103339
(2R)-2-amino-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 28103341
(1R)-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 29563913
(1S)-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 29563915

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62945301) is 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is COCCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KKCOGCHBXNYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-13-3-2-5-10-7(12-14-5)6-8-4-9-11-6/h4H,2-3H2,1H3,(H,8,9,11).
What are the key properties of 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 195.18 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62945301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).