2-methyl-5-(oxiran-2-yl)tetrazole

C4H6N4O — CID 5150278

IUPAC2-methyl-5-(oxiran-2-yl)tetrazole
SMILESCn1nnc(C2CO2)n1
InChIInChI=1S/C4H6N4O/c1-8-6-4(5-7-8)3-2-9-3/h3H,2H2,1H3
InChIKeyLGLIXIFJQCWOJD-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.72
Rot. Bonds1

About 2-methyl-5-(oxiran-2-yl)tetrazole

2-methyl-5-(oxiran-2-yl)tetrazole (PubChem CID 5150278) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 2-methyl-5-(oxiran-2-yl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(oxiran-2-yl)tetrazole
PubChem CID5150278
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name2-methyl-5-(oxiran-2-yl)tetrazole
SMILESCn1nnc(C2CO2)n1
InChIInChI=1S/C4H6N4O/c1-8-6-4(5-7-8)3-2-9-3/h3H,2H2,1H3
InChIKeyLGLIXIFJQCWOJD-UHFFFAOYSA-N
XLogP-0.72
TPSA56.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxiran-2-yl)tetrazole?
The IUPAC name of 2-methyl-5-(oxiran-2-yl)tetrazole (CID 5150278) is 2-methyl-5-(oxiran-2-yl)tetrazole.
What is the SMILES notation for 2-methyl-5-(oxiran-2-yl)tetrazole?
The canonical SMILES for 2-methyl-5-(oxiran-2-yl)tetrazole is Cn1nnc(C2CO2)n1.
What is the InChIKey of 2-methyl-5-(oxiran-2-yl)tetrazole?
The InChIKey is LGLIXIFJQCWOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-8-6-4(5-7-8)3-2-9-3/h3H,2H2,1H3.
What are the key properties of 2-methyl-5-(oxiran-2-yl)tetrazole?
2-methyl-5-(oxiran-2-yl)tetrazole has a molecular weight of 126.12 g/mol, XLogP of -0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxiran-2-yl)tetrazole is sourced from PubChem (CID 5150278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).