1-decyl-2,5-dihydrotetrazole

C11H24N4 — CID 170549622

IUPAC1-decyl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C11H24N4/c1-2-3-4-5-6-7-8-9-10-15-11-12-13-14-15/h2-11H2,1H3,(H,12,14)
InChIKeyDSLHTKAOYCVCMX-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.27
Rot. Bonds9

About 1-decyl-2,5-dihydrotetrazole

1-decyl-2,5-dihydrotetrazole (PubChem CID 170549622) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-decyl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-decyl-2,5-dihydrotetrazole
PubChem CID170549622
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-decyl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C11H24N4/c1-2-3-4-5-6-7-8-9-10-15-11-12-13-14-15/h2-11H2,1H3,(H,12,14)
InChIKeyDSLHTKAOYCVCMX-UHFFFAOYSA-N
XLogP3.27
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.27
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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Related Compounds

1-octyl-5-mercapto-1H-tetrazole
CID 18552320
1-Octyl-5-mercaptotetrazolesodiumsalt
CID 69955370
1-heptyl-2H-tetrazole-5-thione
CID 12904017
1-octadecyl-2H-tetrazole-5-thione
CID 20161127
1-tetradecyl-2H-tetrazole-5-thione
CID 20161128
1-decyl-2H-tetrazole-5-thione
CID 21136922
1-hexadecyl-2H-tetrazole-5-thione
CID 21646462
1-Dodecyl-1,2-dihydro-5H-tetrazole-5-thione
CID 22709239
1-Methyl-5-octan-4-yl-2,5-dihydrotetrazole
CID 123405639
1-Methyl-5-nonan-5-yl-2,5-dihydrotetrazole
CID 123524641
1-Heptadecan-2-yl-2,5-dihydrotetrazole
CID 138558349
1-Hexadecan-2-yl-2,5-dihydrotetrazole
CID 138558351

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2,5-dihydrotetrazole?
The IUPAC name of 1-decyl-2,5-dihydrotetrazole (CID 170549622) is 1-decyl-2,5-dihydrotetrazole.
What is the SMILES notation for 1-decyl-2,5-dihydrotetrazole?
The canonical SMILES for 1-decyl-2,5-dihydrotetrazole is CCCCCCCCCCN1CN=NN1.
What is the InChIKey of 1-decyl-2,5-dihydrotetrazole?
The InChIKey is DSLHTKAOYCVCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-2-3-4-5-6-7-8-9-10-15-11-12-13-14-15/h2-11H2,1H3,(H,12,14).
What are the key properties of 1-decyl-2,5-dihydrotetrazole?
1-decyl-2,5-dihydrotetrazole has a molecular weight of 212.34 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,5-dihydrotetrazole is sourced from PubChem (CID 170549622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).