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

C6H7N5O2 — CID 62944457

IUPAC5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C6H7N5O2/c1-12-2-4-9-6(11-13-4)5-7-3-8-10-5/h3H,2H2,1H3,(H,7,8,10)
InChIKeyITRBPTXSYBPXPA-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.00
Rot. Bonds3

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

5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62944457) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62944457
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C6H7N5O2/c1-12-2-4-9-6(11-13-4)5-7-3-8-10-5/h3H,2H2,1H3,(H,7,8,10)
InChIKeyITRBPTXSYBPXPA-UHFFFAOYSA-N
XLogP0.00
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62944457) is 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is COCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is ITRBPTXSYBPXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-12-2-4-9-6(11-13-4)5-7-3-8-10-5/h3H,2H2,1H3,(H,7,8,10).
What are the key properties of 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 181.16 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62944457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).