N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide

C9H16N4O — CID 78927851

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide
SMILESCCCCCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C9H16N4O/c1-3-4-5-6-8(14)11-9-10-7(2)12-13-9/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyLWSNLDFMOTVBGN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.63
Rot. Bonds5

About N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide (PubChem CID 78927851) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide
PubChem CID78927851
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide
SMILESCCCCCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C9H16N4O/c1-3-4-5-6-8(14)11-9-10-7(2)12-13-9/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyLWSNLDFMOTVBGN-UHFFFAOYSA-N
XLogP1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.63
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-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide (CID 78927851) is N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide is CCCCCC(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
The InChIKey is LWSNLDFMOTVBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-5-6-8(14)11-9-10-7(2)12-13-9/h3-6H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide has a molecular weight of 196.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide is sourced from PubChem (CID 78927851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).