4-dec-1-enyl-2H-triazole

C12H21N3 — CID 69116420

IUPAC4-dec-1-enyl-2H-triazole
SMILESCCCCCCCCC=Cc1cn[nH]n1
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-10-12-11-13-15-14-12/h9-11H,2-8H2,1H3,(H,13,14,15)
InChIKeyMLYHINMOJZEXFK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.57
Rot. Bonds8

About 4-dec-1-enyl-2H-triazole

4-dec-1-enyl-2H-triazole (PubChem CID 69116420) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-dec-1-enyl-2H-triazole.

Molecular Properties

Compound Name4-dec-1-enyl-2H-triazole
PubChem CID69116420
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-dec-1-enyl-2H-triazole
SMILESCCCCCCCCC=Cc1cn[nH]n1
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-10-12-11-13-15-14-12/h9-11H,2-8H2,1H3,(H,13,14,15)
InChIKeyMLYHINMOJZEXFK-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-dec-1-enyl-2H-triazole?
The IUPAC name of 4-dec-1-enyl-2H-triazole (CID 69116420) is 4-dec-1-enyl-2H-triazole.
What is the SMILES notation for 4-dec-1-enyl-2H-triazole?
The canonical SMILES for 4-dec-1-enyl-2H-triazole is CCCCCCCCC=Cc1cn[nH]n1.
What is the InChIKey of 4-dec-1-enyl-2H-triazole?
The InChIKey is MLYHINMOJZEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-10-12-11-13-15-14-12/h9-11H,2-8H2,1H3,(H,13,14,15).
What are the key properties of 4-dec-1-enyl-2H-triazole?
4-dec-1-enyl-2H-triazole has a molecular weight of 207.32 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dec-1-enyl-2H-triazole is sourced from PubChem (CID 69116420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).