5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole

C7H10N4 — CID 56995823

IUPAC5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1/C=C/C
InChIInChI=1S/C7H10N4/c1-3-5-7-8-9-10-11(7)6-4-2/h3-5H,2,6H2,1H3/b5-3+
InChIKeyVULSXIVPRPVSDD-HWKANZROSA-N
MW150.18 g/mol
LogP0.89
Rot. Bonds3

About 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole

5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole (PubChem CID 56995823) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole
PubChem CID56995823
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1/C=C/C
InChIInChI=1S/C7H10N4/c1-3-5-7-8-9-10-11(7)6-4-2/h3-5H,2,6H2,1H3/b5-3+
InChIKeyVULSXIVPRPVSDD-HWKANZROSA-N
XLogP0.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.89
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-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole?
The IUPAC name of 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole (CID 56995823) is 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole?
The canonical SMILES for 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole is C=CCn1nnnc1/C=C/C.
What is the InChIKey of 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole?
The InChIKey is VULSXIVPRPVSDD-HWKANZROSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-5-7-8-9-10-11(7)6-4-2/h3-5H,2,6H2,1H3/b5-3+.
What are the key properties of 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole?
5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole has a molecular weight of 150.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole is sourced from PubChem (CID 56995823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).