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

C6H8N6O — CID 146238792

IUPAC5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2nn[nH]n2)no1
InChIInChI=1S/C6H8N6O/c1-3(2)6-7-4(10-13-6)5-8-11-12-9-5/h3H,1-2H3,(H,8,9,11,12)
InChIKeyYCTBYKBGEXCJLK-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.37
Rot. Bonds2

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

5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 146238792) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID146238792
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2nn[nH]n2)no1
InChIInChI=1S/C6H8N6O/c1-3(2)6-7-4(10-13-6)5-8-11-12-9-5/h3H,1-2H3,(H,8,9,11,12)
InChIKeyYCTBYKBGEXCJLK-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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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (CID 146238792) is 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is CC(C)c1nc(-c2nn[nH]n2)no1.
What is the InChIKey of 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is YCTBYKBGEXCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-3(2)6-7-4(10-13-6)5-8-11-12-9-5/h3H,1-2H3,(H,8,9,11,12).
What are the key properties of 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
5-propan-2-yl-3-(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 5-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146238792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).