5-(4-butoxybutyl)-2H-tetrazole

C9H18N4O — CID 90689565

IUPAC5-(4-butoxybutyl)-2H-tetrazole
SMILESCCCCOCCCCc1nn[nH]n1
InChIInChI=1S/C9H18N4O/c1-2-3-7-14-8-5-4-6-9-10-12-13-11-9/h2-8H2,1H3,(H,10,11,12,13)
InChIKeySBIHLYFKQIRTRO-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.34
Rot. Bonds8

About 5-(4-butoxybutyl)-2H-tetrazole

5-(4-butoxybutyl)-2H-tetrazole (PubChem CID 90689565) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(4-butoxybutyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-butoxybutyl)-2H-tetrazole
PubChem CID90689565
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(4-butoxybutyl)-2H-tetrazole
SMILESCCCCOCCCCc1nn[nH]n1
InChIInChI=1S/C9H18N4O/c1-2-3-7-14-8-5-4-6-9-10-12-13-11-9/h2-8H2,1H3,(H,10,11,12,13)
InChIKeySBIHLYFKQIRTRO-UHFFFAOYSA-N
XLogP1.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.34
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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Related Compounds

5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 113427164
5-pentyl-2H-tetrazole
CID 139080284
5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
CID 13101701
5-(5-ethylundecyl)-2H-tetrazole
CID 129015561
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 104564181
5-(5-methylhexyl)-2H-tetrazole
CID 21044006
1-[2-hydroxy-3-propyl-4-[5-(2H-tetrazol-5-yl)pentoxymethyl]phenyl]ethanone
CID 70351097
5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole
CID 22737232
5-(3-ethyl-3-methylnonyl)-2H-tetrazole
CID 146182533
1-butoxydotriacontane
CID 91693232
1-butoxypentane;niobium
CID 175363169

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxybutyl)-2H-tetrazole?
The IUPAC name of 5-(4-butoxybutyl)-2H-tetrazole (CID 90689565) is 5-(4-butoxybutyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-butoxybutyl)-2H-tetrazole?
The canonical SMILES for 5-(4-butoxybutyl)-2H-tetrazole is CCCCOCCCCc1nn[nH]n1.
What is the InChIKey of 5-(4-butoxybutyl)-2H-tetrazole?
The InChIKey is SBIHLYFKQIRTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-3-7-14-8-5-4-6-9-10-12-13-11-9/h2-8H2,1H3,(H,10,11,12,13).
What are the key properties of 5-(4-butoxybutyl)-2H-tetrazole?
5-(4-butoxybutyl)-2H-tetrazole has a molecular weight of 198.27 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxybutyl)-2H-tetrazole is sourced from PubChem (CID 90689565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).