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

C11H19N5O2 — CID 78927760

IUPAC6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C11H19N5O2/c1-8-13-11(16-15-8)14-10(18)6-4-3-5-7-12-9(2)17/h3-7H2,1-2H3,(H,12,17)(H2,13,14,15,16,18)
InChIKeyRTTRQZLBOPKERV-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.75
Rot. Bonds7

About 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide

6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide (PubChem CID 78927760) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide
PubChem CID78927760
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C11H19N5O2/c1-8-13-11(16-15-8)14-10(18)6-4-3-5-7-12-9(2)17/h3-7H2,1-2H3,(H,12,17)(H2,13,14,15,16,18)
InChIKeyRTTRQZLBOPKERV-UHFFFAOYSA-N
XLogP0.75
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
The IUPAC name of 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide (CID 78927760) is 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
The canonical SMILES for 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide is CC(=O)NCCCCCC(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
The InChIKey is RTTRQZLBOPKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-13-11(16-15-8)14-10(18)6-4-3-5-7-12-9(2)17/h3-7H2,1-2H3,(H,12,17)(H2,13,14,15,16,18).
What are the key properties of 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide?
6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide has a molecular weight of 253.31 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(5-methyl-1H-1,2,4-triazol-3-yl)hexanamide is sourced from PubChem (CID 78927760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).