3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole

C6H5N5O — CID 67416642

IUPAC3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole
SMILESC(=Cc1ncn[nH]1)c1cnon1
InChIInChI=1S/C6H5N5O/c1(5-3-9-12-11-5)2-6-7-4-8-10-6/h1-4H,(H,7,8,10)
InChIKeyFDBPCQNATWUBJW-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.36
Rot. Bonds2

About 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole

3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole (PubChem CID 67416642) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole
PubChem CID67416642
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole
SMILESC(=Cc1ncn[nH]1)c1cnon1
InChIInChI=1S/C6H5N5O/c1(5-3-9-12-11-5)2-6-7-4-8-10-6/h1-4H,(H,7,8,10)
InChIKeyFDBPCQNATWUBJW-UHFFFAOYSA-N
XLogP0.36
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67416716
4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole
CID 67415796
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole
CID 67417521
5-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67417679
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
CID 169452814
5-ethenyl-1H-1,2,4-triazole
CID 19004185
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-imine
CID 163955742
1H-1,2,4-triazol-5-amine
CID 22743754
(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
CID 71313376
CID 69093513
CID 69093513
5-(5-methoxy-3,4-dimethyloxolan-2-yl)-1H-1,2,4-triazole
CID 21360623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole?
The IUPAC name of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole (CID 67416642) is 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole is C(=Cc1ncn[nH]1)c1cnon1.
What is the InChIKey of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole?
The InChIKey is FDBPCQNATWUBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c1(5-3-9-12-11-5)2-6-7-4-8-10-6/h1-4H,(H,7,8,10).
What are the key properties of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole?
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole has a molecular weight of 163.14 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole is sourced from PubChem (CID 67416642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).