1-but-1-enyltetrazole

C5H8N4 — CID 54440525

IUPAC1-but-1-enyltetrazole
SMILESCCC=Cn1cnnn1
InChIInChI=1S/C5H8N4/c1-2-3-4-9-5-6-7-8-9/h3-5H,2H2,1H3
InChIKeyWVTZNEHMDMSAAL-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.55
Rot. Bonds2

About 1-but-1-enyltetrazole

1-but-1-enyltetrazole (PubChem CID 54440525) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-but-1-enyltetrazole.

Molecular Properties

Compound Name1-but-1-enyltetrazole
PubChem CID54440525
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-but-1-enyltetrazole
SMILESCCC=Cn1cnnn1
InChIInChI=1S/C5H8N4/c1-2-3-4-9-5-6-7-8-9/h3-5H,2H2,1H3
InChIKeyWVTZNEHMDMSAAL-UHFFFAOYSA-N
XLogP0.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyltetrazole?
The IUPAC name of 1-but-1-enyltetrazole (CID 54440525) is 1-but-1-enyltetrazole.
What is the SMILES notation for 1-but-1-enyltetrazole?
The canonical SMILES for 1-but-1-enyltetrazole is CCC=Cn1cnnn1.
What is the InChIKey of 1-but-1-enyltetrazole?
The InChIKey is WVTZNEHMDMSAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-4-9-5-6-7-8-9/h3-5H,2H2,1H3.
What are the key properties of 1-but-1-enyltetrazole?
1-but-1-enyltetrazole has a molecular weight of 124.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyltetrazole is sourced from PubChem (CID 54440525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).