5-methyl-1-oxidotetrazole

C2H3N4O- — CID 13223278

IUPAC5-methyl-1-oxidotetrazole
SMILESCc1nnnn1[O-]
InChIInChI=1S/C2H3N4O/c1-2-3-4-5-6(2)7/h1H3/q-1
InChIKeyCZESRFORGNCUJK-UHFFFAOYSA-N
MW99.07 g/mol
LogP-0.67
Rot. Bonds

About 5-methyl-1-oxidotetrazole

5-methyl-1-oxidotetrazole (PubChem CID 13223278) has the molecular formula C2H3N4O- and a molecular weight of 99.07 g/mol. Its IUPAC name is 5-methyl-1-oxidotetrazole.

Molecular Properties

Compound Name5-methyl-1-oxidotetrazole
PubChem CID13223278
Molecular FormulaC2H3N4O-
Molecular Weight99.07 g/mol
Exact Mass99.03
IUPAC Name5-methyl-1-oxidotetrazole
SMILESCc1nnnn1[O-]
InChIInChI=1S/C2H3N4O/c1-2-3-4-5-6(2)7/h1H3/q-1
InChIKeyCZESRFORGNCUJK-UHFFFAOYSA-N
XLogP-0.67
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.07
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-oxidotetrazole?
The IUPAC name of 5-methyl-1-oxidotetrazole (CID 13223278) is 5-methyl-1-oxidotetrazole.
What is the SMILES notation for 5-methyl-1-oxidotetrazole?
The canonical SMILES for 5-methyl-1-oxidotetrazole is Cc1nnnn1[O-].
What is the InChIKey of 5-methyl-1-oxidotetrazole?
The InChIKey is CZESRFORGNCUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N4O/c1-2-3-4-5-6(2)7/h1H3/q-1.
What are the key properties of 5-methyl-1-oxidotetrazole?
5-methyl-1-oxidotetrazole has a molecular weight of 99.07 g/mol, XLogP of -0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-oxidotetrazole is sourced from PubChem (CID 13223278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).