1-heptadecan-2-yl-2,5-dihydrotetrazole

C18H38N4 — CID 138558349

IUPAC1-heptadecan-2-yl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCCCCCCC(C)N1CN=NN1
InChIInChI=1S/C18H38N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)22-17-19-20-21-22/h18H,3-17H2,1-2H3,(H,19,21)
InChIKeyZPOGECAGNMBILK-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.00
Rot. Bonds15

About 1-heptadecan-2-yl-2,5-dihydrotetrazole

1-heptadecan-2-yl-2,5-dihydrotetrazole (PubChem CID 138558349) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-heptadecan-2-yl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-heptadecan-2-yl-2,5-dihydrotetrazole
PubChem CID138558349
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name1-heptadecan-2-yl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCCCCCCC(C)N1CN=NN1
InChIInChI=1S/C18H38N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)22-17-19-20-21-22/h18H,3-17H2,1-2H3,(H,19,21)
InChIKeyZPOGECAGNMBILK-UHFFFAOYSA-N
XLogP6.00
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.00
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-heptadecan-2-yl-2,5-dihydrotetrazole?
The IUPAC name of 1-heptadecan-2-yl-2,5-dihydrotetrazole (CID 138558349) is 1-heptadecan-2-yl-2,5-dihydrotetrazole.
What is the SMILES notation for 1-heptadecan-2-yl-2,5-dihydrotetrazole?
The canonical SMILES for 1-heptadecan-2-yl-2,5-dihydrotetrazole is CCCCCCCCCCCCCCCC(C)N1CN=NN1.
What is the InChIKey of 1-heptadecan-2-yl-2,5-dihydrotetrazole?
The InChIKey is ZPOGECAGNMBILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)22-17-19-20-21-22/h18H,3-17H2,1-2H3,(H,19,21).
What are the key properties of 1-heptadecan-2-yl-2,5-dihydrotetrazole?
1-heptadecan-2-yl-2,5-dihydrotetrazole has a molecular weight of 310.53 g/mol, XLogP of 6.00, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadecan-2-yl-2,5-dihydrotetrazole is sourced from PubChem (CID 138558349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).