2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde

C7H6N4O2 — CID 62025655

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde
SMILESO=CCn1nnc(-c2ccco2)n1
InChIInChI=1S/C7H6N4O2/c12-4-3-11-9-7(8-10-11)6-2-1-5-13-6/h1-2,4-5H,3H2
InChIKeyHMVXVPHUZILFRS-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.13
Rot. Bonds3

About 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde

2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde (PubChem CID 62025655) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde
PubChem CID62025655
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde
SMILESO=CCn1nnc(-c2ccco2)n1
InChIInChI=1S/C7H6N4O2/c12-4-3-11-9-7(8-10-11)6-2-1-5-13-6/h1-2,4-5H,3H2
InChIKeyHMVXVPHUZILFRS-UHFFFAOYSA-N
XLogP0.13
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 351610
CID 351610
CID 2554659
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CID 655677
CID 655677
CID 650890
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CID 861128
CID 861128
CID 11971455
CID 11971455
CID 28819066
CID 28819066
CID 676428
CID 676428
CID 15362134
CID 15362134
CID 1505847
CID 1505847
CID 1505845
CID 1505845
CID 119036687
CID 119036687

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde (CID 62025655) is 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde is O=CCn1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde?
The InChIKey is HMVXVPHUZILFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-4-3-11-9-7(8-10-11)6-2-1-5-13-6/h1-2,4-5H,3H2.
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde?
2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde has a molecular weight of 178.15 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde is sourced from PubChem (CID 62025655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).