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

C8H12N4O2 — CID 163848110

IUPAC5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESCC(=O)CCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H12N4O2/c1-6(13)3-2-4-7(14)11-8-9-5-10-12-8/h5H,2-4H2,1H3,(H2,9,10,11,12,14)
InChIKeyORYSFUQGHHEKTH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.50
Rot. Bonds5

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

5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide (PubChem CID 163848110) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide.

Molecular Properties

Compound Name5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide
PubChem CID163848110
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESCC(=O)CCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H12N4O2/c1-6(13)3-2-4-7(14)11-8-9-5-10-12-8/h5H,2-4H2,1H3,(H2,9,10,11,12,14)
InChIKeyORYSFUQGHHEKTH-UHFFFAOYSA-N
XLogP0.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide (CID 163848110) is 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide.
What is the SMILES notation for 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The canonical SMILES for 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide is CC(=O)CCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide?
The InChIKey is ORYSFUQGHHEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-6(13)3-2-4-7(14)11-8-9-5-10-12-8/h5H,2-4H2,1H3,(H2,9,10,11,12,14).
What are the key properties of 5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide?
5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide has a molecular weight of 196.21 g/mol, XLogP of 0.50, 5 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)hexanamide is sourced from PubChem (CID 163848110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).