5-prop-2-enyl-1-propyltetrazole

C7H12N4 — CID 155151559

IUPAC5-prop-2-enyl-1-propyltetrazole
SMILESC=CCc1nnnn1CCC
InChIInChI=1S/C7H12N4/c1-3-5-7-8-9-10-11(7)6-4-2/h3H,1,4-6H2,2H3
InChIKeyCEQITHLKAFVPGU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.81
Rot. Bonds4

About 5-prop-2-enyl-1-propyltetrazole

5-prop-2-enyl-1-propyltetrazole (PubChem CID 155151559) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-prop-2-enyl-1-propyltetrazole.

Molecular Properties

Compound Name5-prop-2-enyl-1-propyltetrazole
PubChem CID155151559
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-prop-2-enyl-1-propyltetrazole
SMILESC=CCc1nnnn1CCC
InChIInChI=1S/C7H12N4/c1-3-5-7-8-9-10-11(7)6-4-2/h3H,1,4-6H2,2H3
InChIKeyCEQITHLKAFVPGU-UHFFFAOYSA-N
XLogP0.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.81
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-prop-2-enyl-1-propyltetrazole?
The IUPAC name of 5-prop-2-enyl-1-propyltetrazole (CID 155151559) is 5-prop-2-enyl-1-propyltetrazole.
What is the SMILES notation for 5-prop-2-enyl-1-propyltetrazole?
The canonical SMILES for 5-prop-2-enyl-1-propyltetrazole is C=CCc1nnnn1CCC.
What is the InChIKey of 5-prop-2-enyl-1-propyltetrazole?
The InChIKey is CEQITHLKAFVPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-5-7-8-9-10-11(7)6-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 5-prop-2-enyl-1-propyltetrazole?
5-prop-2-enyl-1-propyltetrazole has a molecular weight of 152.20 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1-propyltetrazole is sourced from PubChem (CID 155151559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).