5-(2H-tetrazol-5-yl)pentanal

C6H10N4O — CID 91618377

IUPAC5-(2H-tetrazol-5-yl)pentanal
SMILESO=CCCCCc1nn[nH]n1
InChIInChI=1S/C6H10N4O/c11-5-3-1-2-4-6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10)
InChIKeyHFNWWGAPYAPBRO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.11
Rot. Bonds5

About 5-(2H-tetrazol-5-yl)pentanal

5-(2H-tetrazol-5-yl)pentanal (PubChem CID 91618377) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)pentanal.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)pentanal
PubChem CID91618377
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(2H-tetrazol-5-yl)pentanal
SMILESO=CCCCCc1nn[nH]n1
InChIInChI=1S/C6H10N4O/c11-5-3-1-2-4-6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10)
InChIKeyHFNWWGAPYAPBRO-UHFFFAOYSA-N
XLogP0.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)pentanal?
The IUPAC name of 5-(2H-tetrazol-5-yl)pentanal (CID 91618377) is 5-(2H-tetrazol-5-yl)pentanal.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)pentanal?
The canonical SMILES for 5-(2H-tetrazol-5-yl)pentanal is O=CCCCCc1nn[nH]n1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)pentanal?
The InChIKey is HFNWWGAPYAPBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c11-5-3-1-2-4-6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10).
What are the key properties of 5-(2H-tetrazol-5-yl)pentanal?
5-(2H-tetrazol-5-yl)pentanal has a molecular weight of 154.17 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)pentanal is sourced from PubChem (CID 91618377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).