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

C7H9N5O — CID 55211986

IUPAC5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N5O/c1-2-3-5-10-7(12-13-5)6-8-4-9-11-6/h4H,2-3H2,1H3,(H,8,9,11)
InChIKeyJSVKDLULSXMFRE-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.81
Rot. Bonds3

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

5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 55211986) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID55211986
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N5O/c1-2-3-5-10-7(12-13-5)6-8-4-9-11-6/h4H,2-3H2,1H3,(H,8,9,11)
InChIKeyJSVKDLULSXMFRE-UHFFFAOYSA-N
XLogP0.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43102003
3-methyl-1-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43110749
2,2-dimethyl-1-(3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470411
N,5-Dimethyl-N'-4H-1,2,4-triazol-4-yl-1,2,4-oxadiazole-3-carboximidamide
CID 5246608
3-(1H-1,2,4-triazol-5-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 62946117
1,1,1-trifluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346676
1,1-difluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346798
1,1,1-trifluoro-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63743198
3-(1H-1,2,4-triazol-5-yl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 65713839
1,1,1-trifluoro-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798933
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 103310944
3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864318

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 55211986) is 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is CCCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is JSVKDLULSXMFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-3-5-10-7(12-13-5)6-8-4-9-11-6/h4H,2-3H2,1H3,(H,8,9,11).
What are the key properties of 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 179.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 55211986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).