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

C6H8N6O — CID 131203447

IUPAC2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nnnc2C)o1
InChIInChI=1S/C6H8N6O/c1-4-7-10-11-12(4)3-6-9-8-5(2)13-6/h3H2,1-2H3
InChIKeyYXXIKKMMYLHVRR-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.28
Rot. Bonds2

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

2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 131203447) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID131203447
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nnnc2C)o1
InChIInChI=1S/C6H8N6O/c1-4-7-10-11-12(4)3-6-9-8-5(2)13-6/h3H2,1-2H3
InChIKeyYXXIKKMMYLHVRR-UHFFFAOYSA-N
XLogP-0.28
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole (CID 131203447) is 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole is Cc1nnc(Cn2nnnc2C)o1.
What is the InChIKey of 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is YXXIKKMMYLHVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-4-7-10-11-12(4)3-6-9-8-5(2)13-6/h3H2,1-2H3.
What are the key properties of 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 180.17 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 131203447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).