1-[(E)-pent-2-en-2-yl]tetrazole

C6H10N4 — CID 167109721

IUPAC1-[(E)-pent-2-en-2-yl]tetrazole
SMILESCC/C=C(\C)n1cnnn1
InChIInChI=1S/C6H10N4/c1-3-4-6(2)10-5-7-8-9-10/h4-5H,3H2,1-2H3/b6-4+
InChIKeyZEDAFJMRBFZEDS-GQCTYLIASA-N
MW138.17 g/mol
LogP0.94
Rot. Bonds2

About 1-[(E)-pent-2-en-2-yl]tetrazole

1-[(E)-pent-2-en-2-yl]tetrazole (PubChem CID 167109721) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-[(E)-pent-2-en-2-yl]tetrazole.

Molecular Properties

Compound Name1-[(E)-pent-2-en-2-yl]tetrazole
PubChem CID167109721
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-[(E)-pent-2-en-2-yl]tetrazole
SMILESCC/C=C(\C)n1cnnn1
InChIInChI=1S/C6H10N4/c1-3-4-6(2)10-5-7-8-9-10/h4-5H,3H2,1-2H3/b6-4+
InChIKeyZEDAFJMRBFZEDS-GQCTYLIASA-N
XLogP0.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-2-en-2-yl]tetrazole?
The IUPAC name of 1-[(E)-pent-2-en-2-yl]tetrazole (CID 167109721) is 1-[(E)-pent-2-en-2-yl]tetrazole.
What is the SMILES notation for 1-[(E)-pent-2-en-2-yl]tetrazole?
The canonical SMILES for 1-[(E)-pent-2-en-2-yl]tetrazole is CC/C=C(\C)n1cnnn1.
What is the InChIKey of 1-[(E)-pent-2-en-2-yl]tetrazole?
The InChIKey is ZEDAFJMRBFZEDS-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10N4/c1-3-4-6(2)10-5-7-8-9-10/h4-5H,3H2,1-2H3/b6-4+.
What are the key properties of 1-[(E)-pent-2-en-2-yl]tetrazole?
1-[(E)-pent-2-en-2-yl]tetrazole has a molecular weight of 138.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-2-en-2-yl]tetrazole is sourced from PubChem (CID 167109721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).