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

C8H14N4O — CID 60660165

IUPACN-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-2-3-4-5-7(13)11-8-9-6-10-12-8/h6H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyWMGZRRRSPXPAFJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.32
Rot. Bonds5

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

N-(1H-1,2,4-triazol-5-yl)hexanamide (PubChem CID 60660165) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)hexanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)hexanamide
PubChem CID60660165
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(1H-1,2,4-triazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-2-3-4-5-7(13)11-8-9-6-10-12-8/h6H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyWMGZRRRSPXPAFJ-UHFFFAOYSA-N
XLogP1.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.32
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 N-(1H-1,2,4-triazol-5-yl)hexanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)hexanamide (CID 60660165) is N-(1H-1,2,4-triazol-5-yl)hexanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)hexanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)hexanamide is CCCCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)hexanamide?
The InChIKey is WMGZRRRSPXPAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-4-5-7(13)11-8-9-6-10-12-8/h6H,2-5H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)hexanamide?
N-(1H-1,2,4-triazol-5-yl)hexanamide has a molecular weight of 182.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)hexanamide is sourced from PubChem (CID 60660165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).