1-ethenyltetrazole

C3H4N4 — CID 12753535

IUPAC1-ethenyltetrazole
SMILESC=Cn1cnnn1
InChIInChI=1S/C3H4N4/c1-2-7-3-4-5-6-7/h2-3H,1H2
InChIKeyLUHYKUNBEOOKRR-UHFFFAOYSA-N
MW96.09 g/mol
LogP-0.23
Rot. Bonds1

About 1-ethenyltetrazole

1-ethenyltetrazole (PubChem CID 12753535) has the molecular formula C3H4N4 and a molecular weight of 96.09 g/mol. Its IUPAC name is 1-ethenyltetrazole.

Molecular Properties

Compound Name1-ethenyltetrazole
PubChem CID12753535
Molecular FormulaC3H4N4
Molecular Weight96.09 g/mol
Exact Mass96.04
IUPAC Name1-ethenyltetrazole
SMILESC=Cn1cnnn1
InChIInChI=1S/C3H4N4/c1-2-7-3-4-5-6-7/h2-3H,1H2
InChIKeyLUHYKUNBEOOKRR-UHFFFAOYSA-N
XLogP-0.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyltetrazole?
The IUPAC name of 1-ethenyltetrazole (CID 12753535) is 1-ethenyltetrazole.
What is the SMILES notation for 1-ethenyltetrazole?
The canonical SMILES for 1-ethenyltetrazole is C=Cn1cnnn1.
What is the InChIKey of 1-ethenyltetrazole?
The InChIKey is LUHYKUNBEOOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4/c1-2-7-3-4-5-6-7/h2-3H,1H2.
What are the key properties of 1-ethenyltetrazole?
1-ethenyltetrazole has a molecular weight of 96.09 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyltetrazole is sourced from PubChem (CID 12753535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).