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

C5H8N4O — CID 59986966

IUPAC5-methyl-2-(oxiran-2-ylmethyl)tetrazole
SMILESCc1nnn(CC2CO2)n1
InChIInChI=1S/C5H8N4O/c1-4-6-8-9(7-4)2-5-3-10-5/h5H,2-3H2,1H3
InChIKeyKUTDWTGLEVFUGH-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.62
Rot. Bonds2

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

5-methyl-2-(oxiran-2-ylmethyl)tetrazole (PubChem CID 59986966) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5-methyl-2-(oxiran-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-methyl-2-(oxiran-2-ylmethyl)tetrazole
PubChem CID59986966
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5-methyl-2-(oxiran-2-ylmethyl)tetrazole
SMILESCc1nnn(CC2CO2)n1
InChIInChI=1S/C5H8N4O/c1-4-6-8-9(7-4)2-5-3-10-5/h5H,2-3H2,1H3
InChIKeyKUTDWTGLEVFUGH-UHFFFAOYSA-N
XLogP-0.62
TPSA56.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.62
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 5-methyl-2-(oxiran-2-ylmethyl)tetrazole?
The IUPAC name of 5-methyl-2-(oxiran-2-ylmethyl)tetrazole (CID 59986966) is 5-methyl-2-(oxiran-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-methyl-2-(oxiran-2-ylmethyl)tetrazole?
The canonical SMILES for 5-methyl-2-(oxiran-2-ylmethyl)tetrazole is Cc1nnn(CC2CO2)n1.
What is the InChIKey of 5-methyl-2-(oxiran-2-ylmethyl)tetrazole?
The InChIKey is KUTDWTGLEVFUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4-6-8-9(7-4)2-5-3-10-5/h5H,2-3H2,1H3.
What are the key properties of 5-methyl-2-(oxiran-2-ylmethyl)tetrazole?
5-methyl-2-(oxiran-2-ylmethyl)tetrazole has a molecular weight of 140.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxiran-2-ylmethyl)tetrazole is sourced from PubChem (CID 59986966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).