4-(tetrazol-1-yl)benzaldehyde

C8H6N4O — CID 55266152

IUPAC4-(tetrazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H6N4O/c13-5-7-1-3-8(4-2-7)12-6-9-10-11-12/h1-6H
InChIKeyVEMCUKMTDNYGCY-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.47
Rot. Bonds2

About 4-(tetrazol-1-yl)benzaldehyde

4-(tetrazol-1-yl)benzaldehyde (PubChem CID 55266152) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(tetrazol-1-yl)benzaldehyde
PubChem CID55266152
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name4-(tetrazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H6N4O/c13-5-7-1-3-8(4-2-7)12-6-9-10-11-12/h1-6H
InChIKeyVEMCUKMTDNYGCY-UHFFFAOYSA-N
XLogP0.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(tetrazol-1-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
5-(tetrazol-1-yl)pyridine-2-carbaldehyde
CID 123798914
1-(4-fluorophenyl)tetrazole
CID 825628
4-(tetrazol-1-yl)phenolate
CID 101371881
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
1-(4-ethenylsulfonylphenyl)tetrazole
CID 102223380
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
(E)-3-(4-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 155515671
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
sodium 4-(tetrazol-1-yl)benzenesulfinate
CID 165454670
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
4-(tetrazol-1-ylmethyl)benzaldehyde
CID 86665339

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)benzaldehyde?
The IUPAC name of 4-(tetrazol-1-yl)benzaldehyde (CID 55266152) is 4-(tetrazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(tetrazol-1-yl)benzaldehyde?
The canonical SMILES for 4-(tetrazol-1-yl)benzaldehyde is O=Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)benzaldehyde?
The InChIKey is VEMCUKMTDNYGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c13-5-7-1-3-8(4-2-7)12-6-9-10-11-12/h1-6H.
What are the key properties of 4-(tetrazol-1-yl)benzaldehyde?
4-(tetrazol-1-yl)benzaldehyde has a molecular weight of 174.16 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)benzaldehyde is sourced from PubChem (CID 55266152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).