5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole

C12H16N4O — CID 23614553

IUPAC5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole
SMILESCOc1ccc(CCCCc2nn[nH]n2)cc1
InChIInChI=1S/C12H16N4O/c1-17-11-8-6-10(7-9-11)4-2-3-5-12-13-15-16-14-12/h6-9H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyNFYSKIQFJRLNGZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.77
Rot. Bonds6

About 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole

5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole (PubChem CID 23614553) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole
PubChem CID23614553
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole
SMILESCOc1ccc(CCCCc2nn[nH]n2)cc1
InChIInChI=1S/C12H16N4O/c1-17-11-8-6-10(7-9-11)4-2-3-5-12-13-15-16-14-12/h6-9H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyNFYSKIQFJRLNGZ-UHFFFAOYSA-N
XLogP1.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.77
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-[4-(4-methoxyphenyl)butyl]-2H-tetrazole?
The IUPAC name of 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole (CID 23614553) is 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole is COc1ccc(CCCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole?
The InChIKey is NFYSKIQFJRLNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-11-8-6-10(7-9-11)4-2-3-5-12-13-15-16-14-12/h6-9H,2-5H2,1H3,(H,13,14,15,16).
What are the key properties of 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole?
5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole has a molecular weight of 232.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole is sourced from PubChem (CID 23614553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).