12-(2H-triazol-4-yl)dodecanamide

C14H26N4O — CID 19611755

IUPAC12-(2H-triazol-4-yl)dodecanamide
SMILESNC(=O)CCCCCCCCCCCc1cn[nH]n1
InChIInChI=1S/C14H26N4O/c15-14(19)11-9-7-5-3-1-2-4-6-8-10-13-12-16-18-17-13/h12H,1-11H2,(H2,15,19)(H,16,17,18)
InChIKeyXZOXUNUSLHXAEY-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.73
Rot. Bonds12

About 12-(2H-triazol-4-yl)dodecanamide

12-(2H-triazol-4-yl)dodecanamide (PubChem CID 19611755) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 12-(2H-triazol-4-yl)dodecanamide.

Molecular Properties

Compound Name12-(2H-triazol-4-yl)dodecanamide
PubChem CID19611755
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name12-(2H-triazol-4-yl)dodecanamide
SMILESNC(=O)CCCCCCCCCCCc1cn[nH]n1
InChIInChI=1S/C14H26N4O/c15-14(19)11-9-7-5-3-1-2-4-6-8-10-13-12-16-18-17-13/h12H,1-11H2,(H2,15,19)(H,16,17,18)
InChIKeyXZOXUNUSLHXAEY-UHFFFAOYSA-N
XLogP2.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 12-(2H-triazol-4-yl)dodecanamide?
The IUPAC name of 12-(2H-triazol-4-yl)dodecanamide (CID 19611755) is 12-(2H-triazol-4-yl)dodecanamide.
What is the SMILES notation for 12-(2H-triazol-4-yl)dodecanamide?
The canonical SMILES for 12-(2H-triazol-4-yl)dodecanamide is NC(=O)CCCCCCCCCCCc1cn[nH]n1.
What is the InChIKey of 12-(2H-triazol-4-yl)dodecanamide?
The InChIKey is XZOXUNUSLHXAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-14(19)11-9-7-5-3-1-2-4-6-8-10-13-12-16-18-17-13/h12H,1-11H2,(H2,15,19)(H,16,17,18).
What are the key properties of 12-(2H-triazol-4-yl)dodecanamide?
12-(2H-triazol-4-yl)dodecanamide has a molecular weight of 266.39 g/mol, XLogP of 2.73, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2H-triazol-4-yl)dodecanamide is sourced from PubChem (CID 19611755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).