1-tridecyl-2,5-dihydrotetrazole

C14H30N4 — CID 138578082

IUPAC1-tridecyl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C14H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-15-16-17-18/h2-14H2,1H3,(H,15,17)
InChIKeyHWZMDFAUKRRGHJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP4.44
Rot. Bonds12

About 1-tridecyl-2,5-dihydrotetrazole

1-tridecyl-2,5-dihydrotetrazole (PubChem CID 138578082) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-tridecyl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-tridecyl-2,5-dihydrotetrazole
PubChem CID138578082
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-tridecyl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C14H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-15-16-17-18/h2-14H2,1H3,(H,15,17)
InChIKeyHWZMDFAUKRRGHJ-UHFFFAOYSA-N
XLogP4.44
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 54.44
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 1-tridecyl-2,5-dihydrotetrazole?
The IUPAC name of 1-tridecyl-2,5-dihydrotetrazole (CID 138578082) is 1-tridecyl-2,5-dihydrotetrazole.
What is the SMILES notation for 1-tridecyl-2,5-dihydrotetrazole?
The canonical SMILES for 1-tridecyl-2,5-dihydrotetrazole is CCCCCCCCCCCCCN1CN=NN1.
What is the InChIKey of 1-tridecyl-2,5-dihydrotetrazole?
The InChIKey is HWZMDFAUKRRGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-15-16-17-18/h2-14H2,1H3,(H,15,17).
What are the key properties of 1-tridecyl-2,5-dihydrotetrazole?
1-tridecyl-2,5-dihydrotetrazole has a molecular weight of 254.42 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecyl-2,5-dihydrotetrazole is sourced from PubChem (CID 138578082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).