1-[(E)-but-2-enyl]tetrazole

C5H8N4 — CID 57229389

IUPAC1-[(E)-but-2-enyl]tetrazole
SMILESC/C=C/Cn1cnnn1
InChIInChI=1S/C5H8N4/c1-2-3-4-9-5-6-7-8-9/h2-3,5H,4H2,1H3/b3-2+
InChIKeyWDWJELIAOMPGKN-NSCUHMNNSA-N
MW124.15 g/mol
LogP0.25
Rot. Bonds2

About 1-[(E)-but-2-enyl]tetrazole

1-[(E)-but-2-enyl]tetrazole (PubChem CID 57229389) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]tetrazole.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]tetrazole
PubChem CID57229389
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-[(E)-but-2-enyl]tetrazole
SMILESC/C=C/Cn1cnnn1
InChIInChI=1S/C5H8N4/c1-2-3-4-9-5-6-7-8-9/h2-3,5H,4H2,1H3/b3-2+
InChIKeyWDWJELIAOMPGKN-NSCUHMNNSA-N
XLogP0.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Tetrazole, 1-(2-propenyl)-
CID 12048190
2-(1-Allyl-1 h-tetrazol-5-yl)-1,1-dimethylguanidine
CID 129873005
4-(Tert-butyl)-2-prop-2-enyl-1,2,3,4-tetraazole
CID 685317
1-[(E)-but-2-enyl]-1,2,4-triazole
CID 12591949
5-Iodo-1-prop-2-enyltetrazole
CID 15134252
1-But-3-en-2-yltetrazole
CID 20272365
4-But-2-enyl-1,2,4-triazole
CID 54402800
1-(2-Buten-1-yl)-1H-1,2,4-triazole
CID 78951339
1-But-2-en-2-yltetrazole
CID 123381709
(Z)-but-2-ene;1-methyltetrazole
CID 144527870
1-[(E)-but-2-en-2-yl]tetrazole;ethane
CID 144852919
1-Ethyltetrazole;propane
CID 169152322

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]tetrazole?
The IUPAC name of 1-[(E)-but-2-enyl]tetrazole (CID 57229389) is 1-[(E)-but-2-enyl]tetrazole.
What is the SMILES notation for 1-[(E)-but-2-enyl]tetrazole?
The canonical SMILES for 1-[(E)-but-2-enyl]tetrazole is C/C=C/Cn1cnnn1.
What is the InChIKey of 1-[(E)-but-2-enyl]tetrazole?
The InChIKey is WDWJELIAOMPGKN-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-4-9-5-6-7-8-9/h2-3,5H,4H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]tetrazole?
1-[(E)-but-2-enyl]tetrazole has a molecular weight of 124.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]tetrazole is sourced from PubChem (CID 57229389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).