3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole

C6H8N6O — CID 147860722

IUPAC3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2nn[nH]n2)n1
InChIInChI=1S/C6H8N6O/c1-3(2)4-7-6(13-10-4)5-8-11-12-9-5/h3H,1-2H3,(H,8,9,11,12)
InChIKeyHWQJJRQABJTCCC-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.37
Rot. Bonds2

About 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole

3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 147860722) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID147860722
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2nn[nH]n2)n1
InChIInChI=1S/C6H8N6O/c1-3(2)4-7-6(13-10-4)5-8-11-12-9-5/h3H,1-2H3,(H,8,9,11,12)
InChIKeyHWQJJRQABJTCCC-UHFFFAOYSA-N
XLogP0.37
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 139497328
3-Tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
CID 139497334
5-tert-butyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 139497374
5-methyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 142391598
3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 142391681
5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 146238792
5-(2-Methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 146238800
3,5-dimethyl-1,2,4-oxadiazole;methane;5-methyl-2H-tetrazole
CID 157610669
3,5-dimethyl-1,2,4-oxadiazole;5-methyl-2H-tetrazole
CID 161430135
5-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62792862
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62793552
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62793718

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (CID 147860722) is 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is CC(C)c1noc(-c2nn[nH]n2)n1.
What is the InChIKey of 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HWQJJRQABJTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-3(2)4-7-6(13-10-4)5-8-11-12-9-5/h3H,1-2H3,(H,8,9,11,12).
What are the key properties of 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 180.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 147860722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).