5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide

C14H24N4O2 — CID 56696523

IUPAC5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
SMILESCCCCCCCC(=O)CCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C14H24N4O2/c1-2-3-4-5-6-8-12(19)9-7-10-13(20)17-14-15-11-16-18-14/h11H,2-10H2,1H3,(H2,15,16,17,18,20)
InChIKeyIBTUYFKJCYSBKM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.84
Rot. Bonds11

About 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide

5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide (PubChem CID 56696523) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide.

Molecular Properties

Compound Name5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
PubChem CID56696523
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
SMILESCCCCCCCC(=O)CCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C14H24N4O2/c1-2-3-4-5-6-8-12(19)9-7-10-13(20)17-14-15-11-16-18-14/h11H,2-10H2,1H3,(H2,15,16,17,18,20)
InChIKeyIBTUYFKJCYSBKM-UHFFFAOYSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.84
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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Related Compounds

N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 63665630
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
5-oxo-N-phenylheptadecanamide
CID 3308902
N-(5-methyl-1H-pyrazol-3-yl)nonanamide
CID 47289748
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 30864279
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 61216623
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-pyrimidin-2-yltetradecanamide
CID 4052382

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide?
The IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide (CID 56696523) is 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide.
What is the SMILES notation for 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide?
The canonical SMILES for 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide is CCCCCCCC(=O)CCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide?
The InChIKey is IBTUYFKJCYSBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-3-4-5-6-8-12(19)9-7-10-13(20)17-14-15-11-16-18-14/h11H,2-10H2,1H3,(H2,15,16,17,18,20).
What are the key properties of 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide?
5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide has a molecular weight of 280.37 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide is sourced from PubChem (CID 56696523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).