5-(3-ethoxypropyl)-2H-tetrazole

C6H12N4O — CID 59781409

IUPAC5-(3-ethoxypropyl)-2H-tetrazole
SMILESCCOCCCc1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-2-11-5-3-4-6-7-9-10-8-6/h2-5H2,1H3,(H,7,8,9,10)
InChIKeyLNDHIBOKCLQDEP-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.17
Rot. Bonds5

About 5-(3-ethoxypropyl)-2H-tetrazole

5-(3-ethoxypropyl)-2H-tetrazole (PubChem CID 59781409) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(3-ethoxypropyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-ethoxypropyl)-2H-tetrazole
PubChem CID59781409
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(3-ethoxypropyl)-2H-tetrazole
SMILESCCOCCCc1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-2-11-5-3-4-6-7-9-10-8-6/h2-5H2,1H3,(H,7,8,9,10)
InChIKeyLNDHIBOKCLQDEP-UHFFFAOYSA-N
XLogP0.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropyl)-2H-tetrazole?
The IUPAC name of 5-(3-ethoxypropyl)-2H-tetrazole (CID 59781409) is 5-(3-ethoxypropyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-ethoxypropyl)-2H-tetrazole?
The canonical SMILES for 5-(3-ethoxypropyl)-2H-tetrazole is CCOCCCc1nn[nH]n1.
What is the InChIKey of 5-(3-ethoxypropyl)-2H-tetrazole?
The InChIKey is LNDHIBOKCLQDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-11-5-3-4-6-7-9-10-8-6/h2-5H2,1H3,(H,7,8,9,10).
What are the key properties of 5-(3-ethoxypropyl)-2H-tetrazole?
5-(3-ethoxypropyl)-2H-tetrazole has a molecular weight of 156.19 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropyl)-2H-tetrazole is sourced from PubChem (CID 59781409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).