5-iodo-1-prop-2-enyltetrazole

C4H5IN4 — CID 15134252

IUPAC5-iodo-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1I
InChIInChI=1S/C4H5IN4/c1-2-3-9-4(5)6-7-8-9/h2H,1,3H2
InChIKeyGMQVLDNSSBOCKO-UHFFFAOYSA-N
MW236.02 g/mol
LogP0.46
Rot. Bonds2

About 5-iodo-1-prop-2-enyltetrazole

5-iodo-1-prop-2-enyltetrazole (PubChem CID 15134252) has the molecular formula C4H5IN4 and a molecular weight of 236.02 g/mol. Its IUPAC name is 5-iodo-1-prop-2-enyltetrazole.

Molecular Properties

Compound Name5-iodo-1-prop-2-enyltetrazole
PubChem CID15134252
Molecular FormulaC4H5IN4
Molecular Weight236.02 g/mol
Exact Mass235.96
IUPAC Name5-iodo-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1I
InChIInChI=1S/C4H5IN4/c1-2-3-9-4(5)6-7-8-9/h2H,1,3H2
InChIKeyGMQVLDNSSBOCKO-UHFFFAOYSA-N
XLogP0.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-prop-2-enyltetrazole?
The IUPAC name of 5-iodo-1-prop-2-enyltetrazole (CID 15134252) is 5-iodo-1-prop-2-enyltetrazole.
What is the SMILES notation for 5-iodo-1-prop-2-enyltetrazole?
The canonical SMILES for 5-iodo-1-prop-2-enyltetrazole is C=CCn1nnnc1I.
What is the InChIKey of 5-iodo-1-prop-2-enyltetrazole?
The InChIKey is GMQVLDNSSBOCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN4/c1-2-3-9-4(5)6-7-8-9/h2H,1,3H2.
What are the key properties of 5-iodo-1-prop-2-enyltetrazole?
5-iodo-1-prop-2-enyltetrazole has a molecular weight of 236.02 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-prop-2-enyltetrazole is sourced from PubChem (CID 15134252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).