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

C4H4N6O — CID 142391681

IUPAC3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nn[nH]n2)n1
InChIInChI=1S/C4H4N6O/c1-2-5-4(11-8-2)3-6-9-10-7-3/h1H3,(H,6,7,9,10)
InChIKeyNOETWDJMZAUFHD-UHFFFAOYSA-N
MW152.12 g/mol
LogP-0.44
Rot. Bonds1

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

3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 142391681) has the molecular formula C4H4N6O and a molecular weight of 152.12 g/mol. Its IUPAC name is 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID142391681
Molecular FormulaC4H4N6O
Molecular Weight152.12 g/mol
Exact Mass152.04
IUPAC Name3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nn[nH]n2)n1
InChIInChI=1S/C4H4N6O/c1-2-5-4(11-8-2)3-6-9-10-7-3/h1H3,(H,6,7,9,10)
InChIKeyNOETWDJMZAUFHD-UHFFFAOYSA-N
XLogP-0.44
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (CID 142391681) is 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is Cc1noc(-c2nn[nH]n2)n1.
What is the InChIKey of 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is NOETWDJMZAUFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O/c1-2-5-4(11-8-2)3-6-9-10-7-3/h1H3,(H,6,7,9,10).
What are the key properties of 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 152.12 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 142391681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).