5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole

C9H13N5O — CID 146448592

IUPAC5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCCCn1cc(-c2noc(CC)n2)nn1
InChIInChI=1S/C9H13N5O/c1-3-5-14-6-7(11-13-14)9-10-8(4-2)15-12-9/h6H,3-5H2,1-2H3
InChIKeyXLUOTNZPIDLNPM-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.30
Rot. Bonds4

About 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole

5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 146448592) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID146448592
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCCCn1cc(-c2noc(CC)n2)nn1
InChIInChI=1S/C9H13N5O/c1-3-5-14-6-7(11-13-14)9-10-8(4-2)15-12-9/h6H,3-5H2,1-2H3
InChIKeyXLUOTNZPIDLNPM-UHFFFAOYSA-N
XLogP1.30
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole (CID 146448592) is 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole is CCCn1cc(-c2noc(CC)n2)nn1.
What is the InChIKey of 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is XLUOTNZPIDLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-5-14-6-7(11-13-14)9-10-8(4-2)15-12-9/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole?
5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 207.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146448592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).