2-decyltetrazole

C11H22N4 — CID 90743217

IUPAC2-decyltetrazole
SMILESCCCCCCCCCCn1ncnn1
InChIInChI=1S/C11H22N4/c1-2-3-4-5-6-7-8-9-10-15-13-11-12-14-15/h11H,2-10H2,1H3
InChIKeySJILHRMCUACRCK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.81
Rot. Bonds9

About 2-decyltetrazole

2-decyltetrazole (PubChem CID 90743217) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-decyltetrazole.

Molecular Properties

Compound Name2-decyltetrazole
PubChem CID90743217
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-decyltetrazole
SMILESCCCCCCCCCCn1ncnn1
InChIInChI=1S/C11H22N4/c1-2-3-4-5-6-7-8-9-10-15-13-11-12-14-15/h11H,2-10H2,1H3
InChIKeySJILHRMCUACRCK-UHFFFAOYSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[5-(tetrazol-2-yl)pentyl]silane
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CID 22473113
2-heptyltriazol-4-amine
CID 165480790
5-deuterio-1-octyltriazole
CID 162351555
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590

Frequently Asked Questions

What is the IUPAC name of 2-decyltetrazole?
The IUPAC name of 2-decyltetrazole (CID 90743217) is 2-decyltetrazole.
What is the SMILES notation for 2-decyltetrazole?
The canonical SMILES for 2-decyltetrazole is CCCCCCCCCCn1ncnn1.
What is the InChIKey of 2-decyltetrazole?
The InChIKey is SJILHRMCUACRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-2-3-4-5-6-7-8-9-10-15-13-11-12-14-15/h11H,2-10H2,1H3.
What are the key properties of 2-decyltetrazole?
2-decyltetrazole has a molecular weight of 210.32 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyltetrazole is sourced from PubChem (CID 90743217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).