2-(1-butoxybutyl)-5-phenyltetrazole

C15H22N4O — CID 132568651

IUPAC2-(1-butoxybutyl)-5-phenyltetrazole
SMILESCCCCOC(CCC)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-3-5-12-20-14(9-4-2)19-17-15(16-18-19)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKeyFNNWQWOPAJDGBQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.46
Rot. Bonds8

About 2-(1-butoxybutyl)-5-phenyltetrazole

2-(1-butoxybutyl)-5-phenyltetrazole (PubChem CID 132568651) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-butoxybutyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(1-butoxybutyl)-5-phenyltetrazole
PubChem CID132568651
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(1-butoxybutyl)-5-phenyltetrazole
SMILESCCCCOC(CCC)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-3-5-12-20-14(9-4-2)19-17-15(16-18-19)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKeyFNNWQWOPAJDGBQ-UHFFFAOYSA-N
XLogP3.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol
CID 102325180
2-(5-phenyltetrazol-2-yl)pentanehydrazide
CID 83048205
2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
CID 79409199
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 103227465
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62448473
2-[[5-(4-butoxyphenyl)tetrazol-2-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 3184427
3-(5-phenyltetrazol-2-yl)propyl 4-methylpentanoate
CID 86902685
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxybutyl)-5-phenyltetrazole?
The IUPAC name of 2-(1-butoxybutyl)-5-phenyltetrazole (CID 132568651) is 2-(1-butoxybutyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(1-butoxybutyl)-5-phenyltetrazole?
The canonical SMILES for 2-(1-butoxybutyl)-5-phenyltetrazole is CCCCOC(CCC)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(1-butoxybutyl)-5-phenyltetrazole?
The InChIKey is FNNWQWOPAJDGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-5-12-20-14(9-4-2)19-17-15(16-18-19)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3.
What are the key properties of 2-(1-butoxybutyl)-5-phenyltetrazole?
2-(1-butoxybutyl)-5-phenyltetrazole has a molecular weight of 274.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxybutyl)-5-phenyltetrazole is sourced from PubChem (CID 132568651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).