4-(2H-tetrazol-5-yl)pentanal

C6H10N4O — CID 155444826

IUPAC4-(2H-tetrazol-5-yl)pentanal
SMILESCC(CCC=O)c1nn[nH]n1
InChIInChI=1S/C6H10N4O/c1-5(3-2-4-11)6-7-9-10-8-6/h4-5H,2-3H2,1H3,(H,7,8,9,10)
InChIKeyFRYYSYHXLQHNHW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.28
Rot. Bonds4

About 4-(2H-tetrazol-5-yl)pentanal

4-(2H-tetrazol-5-yl)pentanal (PubChem CID 155444826) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)pentanal.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)pentanal
PubChem CID155444826
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-(2H-tetrazol-5-yl)pentanal
SMILESCC(CCC=O)c1nn[nH]n1
InChIInChI=1S/C6H10N4O/c1-5(3-2-4-11)6-7-9-10-8-6/h4-5H,2-3H2,1H3,(H,7,8,9,10)
InChIKeyFRYYSYHXLQHNHW-UHFFFAOYSA-N
XLogP0.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)pentanal?
The IUPAC name of 4-(2H-tetrazol-5-yl)pentanal (CID 155444826) is 4-(2H-tetrazol-5-yl)pentanal.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)pentanal?
The canonical SMILES for 4-(2H-tetrazol-5-yl)pentanal is CC(CCC=O)c1nn[nH]n1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)pentanal?
The InChIKey is FRYYSYHXLQHNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(3-2-4-11)6-7-9-10-8-6/h4-5H,2-3H2,1H3,(H,7,8,9,10).
What are the key properties of 4-(2H-tetrazol-5-yl)pentanal?
4-(2H-tetrazol-5-yl)pentanal has a molecular weight of 154.17 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)pentanal is sourced from PubChem (CID 155444826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).