1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole

C16H22N8S — CID 78812765

IUPAC1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole
SMILESCCCCc1ccc(-n2nnnc2SCc2nnnn2CCC)cc1
InChIInChI=1S/C16H22N8S/c1-3-5-6-13-7-9-14(10-8-13)24-16(18-20-22-24)25-12-15-17-19-21-23(15)11-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyDKHMTOICQXLZEP-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.69
Rot. Bonds9

About 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole

1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole (PubChem CID 78812765) has the molecular formula C16H22N8S and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole
PubChem CID78812765
Molecular FormulaC16H22N8S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole
SMILESCCCCc1ccc(-n2nnnc2SCc2nnnn2CCC)cc1
InChIInChI=1S/C16H22N8S/c1-3-5-6-13-7-9-14(10-8-13)24-16(18-20-22-24)25-12-15-17-19-21-23(15)11-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyDKHMTOICQXLZEP-UHFFFAOYSA-N
XLogP2.69
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylbutyl]isoindole-1,3-dione
CID 16535844
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 112780362
3-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 38855974
1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7856915
4-[4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60564136
1-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 47009469
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 51287849
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112780364
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 16535892
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306550
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 7455481

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole (CID 78812765) is 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole is CCCCc1ccc(-n2nnnc2SCc2nnnn2CCC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole?
The InChIKey is DKHMTOICQXLZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8S/c1-3-5-6-13-7-9-14(10-8-13)24-16(18-20-22-24)25-12-15-17-19-21-23(15)11-4-2/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole?
1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole has a molecular weight of 358.48 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole is sourced from PubChem (CID 78812765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).