1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

C12H14N8S — CID 17449592

IUPAC1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCC(C)Cn1nnnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C12H14N8S/c1-9(2)8-19-11(13-15-17-19)21-12-14-16-18-20(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZMQBWCPJLMWNGG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.46
Rot. Bonds5

About 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole

1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (PubChem CID 17449592) has the molecular formula C12H14N8S and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
PubChem CID17449592
Molecular FormulaC12H14N8S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
SMILESCC(C)Cn1nnnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C12H14N8S/c1-9(2)8-19-11(13-15-17-19)21-12-14-16-18-20(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZMQBWCPJLMWNGG-UHFFFAOYSA-N
XLogP1.46
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51270218
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033
1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
CID 1253667

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The IUPAC name of 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole (CID 17449592) is 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole.
What is the SMILES notation for 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The canonical SMILES for 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is CC(C)Cn1nnnc1Sc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
The InChIKey is ZMQBWCPJLMWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8S/c1-9(2)8-19-11(13-15-17-19)21-12-14-16-18-20(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole?
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole has a molecular weight of 302.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole is sourced from PubChem (CID 17449592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).