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

C7H10N6O — CID 146238800

IUPAC5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2nnn(C)n2)n1
InChIInChI=1S/C7H10N6O/c1-4(2)5-8-7(14-11-5)6-9-12-13(3)10-6/h4H,1-3H3
InChIKeySSQAHANDIKNZQI-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.38
Rot. Bonds2

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

5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 146238800) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID146238800
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2nnn(C)n2)n1
InChIInChI=1S/C7H10N6O/c1-4(2)5-8-7(14-11-5)6-9-12-13(3)10-6/h4H,1-3H3
InChIKeySSQAHANDIKNZQI-UHFFFAOYSA-N
XLogP0.38
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 146238800) is 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(-c2nnn(C)n2)n1.
What is the InChIKey of 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is SSQAHANDIKNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-4(2)5-8-7(14-11-5)6-9-12-13(3)10-6/h4H,1-3H3.
What are the key properties of 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 194.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 146238800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).