1-hexadecyl-2,3-dihydrotetrazole

C17H36N4 — CID 138558411

IUPAC1-hexadecyl-2,3-dihydrotetrazole
SMILESCCCCCCCCCCCCCCCCN1C=NNN1
InChIInChI=1S/C17H36N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-19-20-21/h17,19-20H,2-16H2,1H3
InChIKeyGRRANCPGMLAHBR-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.74
Rot. Bonds15

About 1-hexadecyl-2,3-dihydrotetrazole

1-hexadecyl-2,3-dihydrotetrazole (PubChem CID 138558411) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-hexadecyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name1-hexadecyl-2,3-dihydrotetrazole
PubChem CID138558411
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name1-hexadecyl-2,3-dihydrotetrazole
SMILESCCCCCCCCCCCCCCCCN1C=NNN1
InChIInChI=1S/C17H36N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-19-20-21/h17,19-20H,2-16H2,1H3
InChIKeyGRRANCPGMLAHBR-UHFFFAOYSA-N
XLogP4.74
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
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-hexadecyl-2,3-dihydrotetrazole?
The IUPAC name of 1-hexadecyl-2,3-dihydrotetrazole (CID 138558411) is 1-hexadecyl-2,3-dihydrotetrazole.
What is the SMILES notation for 1-hexadecyl-2,3-dihydrotetrazole?
The canonical SMILES for 1-hexadecyl-2,3-dihydrotetrazole is CCCCCCCCCCCCCCCCN1C=NNN1.
What is the InChIKey of 1-hexadecyl-2,3-dihydrotetrazole?
The InChIKey is GRRANCPGMLAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-19-20-21/h17,19-20H,2-16H2,1H3.
What are the key properties of 1-hexadecyl-2,3-dihydrotetrazole?
1-hexadecyl-2,3-dihydrotetrazole has a molecular weight of 296.50 g/mol, XLogP of 4.74, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-2,3-dihydrotetrazole is sourced from PubChem (CID 138558411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).