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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Related Compounds

5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 71974197
3-[(5-Cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 136524536
5-[(5-Cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127388306
5-(4,5-Dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole
CID 18726752
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-propan-2-yl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 146238792
3-propan-2-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 147860722
3,5-Dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole
CID 157241277
3-Methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
CID 163945891
1-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 60721522
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 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).