2-methoxy-5-methyltetrazole

C3H6N4O — CID 169203903

IUPAC2-methoxy-5-methyltetrazole
SMILESCOn1nnc(C)n1
InChIInChI=1S/C3H6N4O/c1-3-4-6-7(5-3)8-2/h1-2H3
InChIKeyFZNFNOQWKGDWBF-UHFFFAOYSA-N
MW114.11 g/mol
LogP-0.96
Rot. Bonds1

About 2-methoxy-5-methyltetrazole

2-methoxy-5-methyltetrazole (PubChem CID 169203903) has the molecular formula C3H6N4O and a molecular weight of 114.11 g/mol. Its IUPAC name is 2-methoxy-5-methyltetrazole.

Molecular Properties

Compound Name2-methoxy-5-methyltetrazole
PubChem CID169203903
Molecular FormulaC3H6N4O
Molecular Weight114.11 g/mol
Exact Mass114.05
IUPAC Name2-methoxy-5-methyltetrazole
SMILESCOn1nnc(C)n1
InChIInChI=1S/C3H6N4O/c1-3-4-6-7(5-3)8-2/h1-2H3
InChIKeyFZNFNOQWKGDWBF-UHFFFAOYSA-N
XLogP-0.96
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyltetrazole?
The IUPAC name of 2-methoxy-5-methyltetrazole (CID 169203903) is 2-methoxy-5-methyltetrazole.
What is the SMILES notation for 2-methoxy-5-methyltetrazole?
The canonical SMILES for 2-methoxy-5-methyltetrazole is COn1nnc(C)n1.
What is the InChIKey of 2-methoxy-5-methyltetrazole?
The InChIKey is FZNFNOQWKGDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O/c1-3-4-6-7(5-3)8-2/h1-2H3.
What are the key properties of 2-methoxy-5-methyltetrazole?
2-methoxy-5-methyltetrazole has a molecular weight of 114.11 g/mol, XLogP of -0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyltetrazole is sourced from PubChem (CID 169203903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).