5-ethenyl-1-prop-2-enyltetrazole

C6H8N4 — CID 67833584

IUPAC5-ethenyl-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1C=C
InChIInChI=1S/C6H8N4/c1-3-5-10-6(4-2)7-8-9-10/h3-4H,1-2,5H2
InChIKeyIFLUUXYNCCMKGY-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.50
Rot. Bonds3

About 5-ethenyl-1-prop-2-enyltetrazole

5-ethenyl-1-prop-2-enyltetrazole (PubChem CID 67833584) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5-ethenyl-1-prop-2-enyltetrazole.

Molecular Properties

Compound Name5-ethenyl-1-prop-2-enyltetrazole
PubChem CID67833584
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5-ethenyl-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1C=C
InChIInChI=1S/C6H8N4/c1-3-5-10-6(4-2)7-8-9-10/h3-4H,1-2,5H2
InChIKeyIFLUUXYNCCMKGY-UHFFFAOYSA-N
XLogP0.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-prop-2-enyltetrazole?
The IUPAC name of 5-ethenyl-1-prop-2-enyltetrazole (CID 67833584) is 5-ethenyl-1-prop-2-enyltetrazole.
What is the SMILES notation for 5-ethenyl-1-prop-2-enyltetrazole?
The canonical SMILES for 5-ethenyl-1-prop-2-enyltetrazole is C=CCn1nnnc1C=C.
What is the InChIKey of 5-ethenyl-1-prop-2-enyltetrazole?
The InChIKey is IFLUUXYNCCMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-3-5-10-6(4-2)7-8-9-10/h3-4H,1-2,5H2.
What are the key properties of 5-ethenyl-1-prop-2-enyltetrazole?
5-ethenyl-1-prop-2-enyltetrazole has a molecular weight of 136.16 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-prop-2-enyltetrazole is sourced from PubChem (CID 67833584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).