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

C5H6N6O — CID 163945891

IUPAC3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nnn(C)n2)n1
InChIInChI=1S/C5H6N6O/c1-3-6-5(12-9-3)4-7-10-11(2)8-4/h1-2H3
InChIKeyRVAKPCCZDYEDTL-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.43
Rot. Bonds1

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

3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 163945891) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID163945891
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nnn(C)n2)n1
InChIInChI=1S/C5H6N6O/c1-3-6-5(12-9-3)4-7-10-11(2)8-4/h1-2H3
InChIKeyRVAKPCCZDYEDTL-UHFFFAOYSA-N
XLogP-0.43
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4,5-Dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole
CID 18726752
3-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 53631035
3-Methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 89881890
3-Methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 89881891
3-Tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
CID 139497334
5-methyl-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 142391598
3-Methyl-5-(1,3,4-thiadiazol-2-yl)-1,2,4-oxadiazole
CID 142391625
3-methyl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
CID 142391681
Ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 143899654
5-(2-Methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 146238800
3,5-Dimethyl-1,2,4-oxadiazole;2,5-dimethyltetrazole
CID 157241277
5-(2-Methyl-2h-1,2,3,4-tetrazol-5-yl)-1,2,4-oxadiazol-3-amine
CID 164645306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole (CID 163945891) is 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole is Cc1noc(-c2nnn(C)n2)n1.
What is the InChIKey of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is RVAKPCCZDYEDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c1-3-6-5(12-9-3)4-7-10-11(2)8-4/h1-2H3.
What are the key properties of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 166.14 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 163945891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).