1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

C8H11N5O2 — CID 103096543

IUPAC1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2cn[nH]n2)n1
InChIInChI=1S/C8H11N5O2/c1-2-3-6(14)7-10-8(15-12-7)5-4-9-13-11-5/h4,6,14H,2-3H2,1H3,(H,9,11,13)
InChIKeyLBJBIEZETWUQBQ-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.69
Rot. Bonds4

About 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 103096543) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID103096543
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2cn[nH]n2)n1
InChIInChI=1S/C8H11N5O2/c1-2-3-6(14)7-10-8(15-12-7)5-4-9-13-11-5/h4,6,14H,2-3H2,1H3,(H,9,11,13)
InChIKeyLBJBIEZETWUQBQ-UHFFFAOYSA-N
XLogP0.69
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096517
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443207
1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096494
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096462
1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096524
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660324
1-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096579
1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 103096497
1-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443214
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 104704277
3-chloro-5-(2H-triazol-4-yl)-1,2,4-oxadiazole
CID 112571918

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 103096543) is 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2cn[nH]n2)n1.
What is the InChIKey of 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is LBJBIEZETWUQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-2-3-6(14)7-10-8(15-12-7)5-4-9-13-11-5/h4,6,14H,2-3H2,1H3,(H,9,11,13).
What are the key properties of 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 209.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 103096543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).