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

C9H11N5O2 — CID 81424483

IUPAC5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCC1CCOC1c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C9H11N5O2/c1-5-2-3-15-6(5)9-12-8(14-16-9)7-10-4-11-13-7/h4-6H,2-3H2,1H3,(H,10,11,13)
InChIKeyKFUJRXTUDLCHCL-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.95
Rot. Bonds2

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

5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 81424483) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID81424483
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCC1CCOC1c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C9H11N5O2/c1-5-2-3-15-6(5)9-12-8(14-16-9)7-10-4-11-13-7/h4-6H,2-3H2,1H3,(H,10,11,13)
InChIKeyKFUJRXTUDLCHCL-UHFFFAOYSA-N
XLogP0.95
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 81424483) is 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is CC1CCOC1c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KFUJRXTUDLCHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5-2-3-15-6(5)9-12-8(14-16-9)7-10-4-11-13-7/h4-6H,2-3H2,1H3,(H,10,11,13).
What are the key properties of 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 221.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyloxolan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 81424483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).