5-but-3-enyl-1-methyltetrazole

C6H10N4 — CID 164651037

IUPAC5-but-3-enyl-1-methyltetrazole
SMILESC=CCCc1nnnn1C
InChIInChI=1S/C6H10N4/c1-3-4-5-6-7-8-9-10(6)2/h3H,1,4-5H2,2H3
InChIKeyHVEXULJSKDDWAQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.33
Rot. Bonds3

About 5-but-3-enyl-1-methyltetrazole

5-but-3-enyl-1-methyltetrazole (PubChem CID 164651037) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-but-3-enyl-1-methyltetrazole.

Molecular Properties

Compound Name5-but-3-enyl-1-methyltetrazole
PubChem CID164651037
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-but-3-enyl-1-methyltetrazole
SMILESC=CCCc1nnnn1C
InChIInChI=1S/C6H10N4/c1-3-4-5-6-7-8-9-10(6)2/h3H,1,4-5H2,2H3
InChIKeyHVEXULJSKDDWAQ-UHFFFAOYSA-N
XLogP0.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.33
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-but-3-enyl-1-methyltetrazole?
The IUPAC name of 5-but-3-enyl-1-methyltetrazole (CID 164651037) is 5-but-3-enyl-1-methyltetrazole.
What is the SMILES notation for 5-but-3-enyl-1-methyltetrazole?
The canonical SMILES for 5-but-3-enyl-1-methyltetrazole is C=CCCc1nnnn1C.
What is the InChIKey of 5-but-3-enyl-1-methyltetrazole?
The InChIKey is HVEXULJSKDDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-3-4-5-6-7-8-9-10(6)2/h3H,1,4-5H2,2H3.
What are the key properties of 5-but-3-enyl-1-methyltetrazole?
5-but-3-enyl-1-methyltetrazole has a molecular weight of 138.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-1-methyltetrazole is sourced from PubChem (CID 164651037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).