1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole

C15H29N3 — CID 67866947

IUPAC1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole
SMILESC=C(CCCCC)C(CCCCC)N1CCN=N1
InChIInChI=1S/C15H29N3/c1-4-6-8-10-14(3)15(11-9-7-5-2)18-13-12-16-17-18/h15H,3-13H2,1-2H3
InChIKeyLXDYICAPXINSNN-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.75
Rot. Bonds10

About 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole

1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole (PubChem CID 67866947) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole.

Molecular Properties

Compound Name1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole
PubChem CID67866947
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole
SMILESC=C(CCCCC)C(CCCCC)N1CCN=N1
InChIInChI=1S/C15H29N3/c1-4-6-8-10-14(3)15(11-9-7-5-2)18-13-12-16-17-18/h15H,3-13H2,1-2H3
InChIKeyLXDYICAPXINSNN-UHFFFAOYSA-N
XLogP4.75
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole?
The IUPAC name of 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole (CID 67866947) is 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole.
What is the SMILES notation for 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole?
The canonical SMILES for 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole is C=C(CCCCC)C(CCCCC)N1CCN=N1.
What is the InChIKey of 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole?
The InChIKey is LXDYICAPXINSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-6-8-10-14(3)15(11-9-7-5-2)18-13-12-16-17-18/h15H,3-13H2,1-2H3.
What are the key properties of 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole?
1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole has a molecular weight of 251.42 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylidenedodecan-6-yl)-4,5-dihydrotriazole is sourced from PubChem (CID 67866947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).