5H-tetrazole-5-carbaldehyde

C2H2N4O — CID 86195204

IUPAC5H-tetrazole-5-carbaldehyde
SMILESO=CC1N=NN=N1
InChIInChI=1S/C2H2N4O/c7-1-2-3-5-6-4-2/h1-2H
InChIKeyPQEYLJPVVCDCIW-UHFFFAOYSA-N
MW98.06 g/mol
LogP0.34
Rot. Bonds1

About 5H-tetrazole-5-carbaldehyde

5H-tetrazole-5-carbaldehyde (PubChem CID 86195204) has the molecular formula C2H2N4O and a molecular weight of 98.06 g/mol. Its IUPAC name is 5H-tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name5H-tetrazole-5-carbaldehyde
PubChem CID86195204
Molecular FormulaC2H2N4O
Molecular Weight98.06 g/mol
Exact Mass98.02
IUPAC Name5H-tetrazole-5-carbaldehyde
SMILESO=CC1N=NN=N1
InChIInChI=1S/C2H2N4O/c7-1-2-3-5-6-4-2/h1-2H
InChIKeyPQEYLJPVVCDCIW-UHFFFAOYSA-N
XLogP0.34
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.06
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

quinoline;5H-tetrazole-5-carbaldehyde
CID 174296767
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CID 102345223
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CID 174890488
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
5H-tetrazole-5-sulfinate
CID 174379657
3,4-difluorocyclopentane-1-carbaldehyde
CID 140541377
1,3,5-trioxane-2,4,6-tricarbaldehyde
CID 54209022
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
4-cycloheptylcyclohexane-1-carbaldehyde
CID 118360341
2,2,4,5-tetraoxooxathiazinane-6-carbaldehyde
CID 169451887
(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carbaldehyde
CID 89173310

Frequently Asked Questions

What is the IUPAC name of 5H-tetrazole-5-carbaldehyde?
The IUPAC name of 5H-tetrazole-5-carbaldehyde (CID 86195204) is 5H-tetrazole-5-carbaldehyde.
What is the SMILES notation for 5H-tetrazole-5-carbaldehyde?
The canonical SMILES for 5H-tetrazole-5-carbaldehyde is O=CC1N=NN=N1.
What is the InChIKey of 5H-tetrazole-5-carbaldehyde?
The InChIKey is PQEYLJPVVCDCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N4O/c7-1-2-3-5-6-4-2/h1-2H.
What are the key properties of 5H-tetrazole-5-carbaldehyde?
5H-tetrazole-5-carbaldehyde has a molecular weight of 98.06 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-tetrazole-5-carbaldehyde is sourced from PubChem (CID 86195204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).