N-methyl-6-(triazol-1-yl)hexanamide

C9H16N4O — CID 164816515

IUPACN-methyl-6-(triazol-1-yl)hexanamide
SMILESCNC(=O)CCCCCn1ccnn1
InChIInChI=1S/C9H16N4O/c1-10-9(14)5-3-2-4-7-13-8-6-11-12-13/h6,8H,2-5,7H2,1H3,(H,10,14)
InChIKeyUJXAWZJXVKOONP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds6

About N-methyl-6-(triazol-1-yl)hexanamide

N-methyl-6-(triazol-1-yl)hexanamide (PubChem CID 164816515) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-6-(triazol-1-yl)hexanamide.

Molecular Properties

Compound NameN-methyl-6-(triazol-1-yl)hexanamide
PubChem CID164816515
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-6-(triazol-1-yl)hexanamide
SMILESCNC(=O)CCCCCn1ccnn1
InChIInChI=1S/C9H16N4O/c1-10-9(14)5-3-2-4-7-13-8-6-11-12-13/h6,8H,2-5,7H2,1H3,(H,10,14)
InChIKeyUJXAWZJXVKOONP-UHFFFAOYSA-N
XLogP0.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-6-(triazol-1-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azepan-1-yl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]acetamide
CID 91790947
4,4,4-trifluoro-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]butanamide
CID 122560590
(1S)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 124616491
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-methyl-N'-[2-(triazol-1-yl)acetyl]pentanehydrazide
CID 57055464
1-(Triazol-1-yl)dodecan-1-one
CID 58661316
7-(Triazol-1-yl)heptanamide
CID 67729008
2-methyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 68197496
N-[3-(triazol-1-yl)propyl]acetamide
CID 68198122
3-(Triazol-1-yl)azepan-2-one
CID 68516656
N-methyl-2-(methylamino)-4-(triazol-1-yl)butanamide
CID 90132264
N-pentan-2-yl-2-(triazol-1-yl)acetamide
CID 90155069

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(triazol-1-yl)hexanamide?
The IUPAC name of N-methyl-6-(triazol-1-yl)hexanamide (CID 164816515) is N-methyl-6-(triazol-1-yl)hexanamide.
What is the SMILES notation for N-methyl-6-(triazol-1-yl)hexanamide?
The canonical SMILES for N-methyl-6-(triazol-1-yl)hexanamide is CNC(=O)CCCCCn1ccnn1.
What is the InChIKey of N-methyl-6-(triazol-1-yl)hexanamide?
The InChIKey is UJXAWZJXVKOONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-9(14)5-3-2-4-7-13-8-6-11-12-13/h6,8H,2-5,7H2,1H3,(H,10,14).
What are the key properties of N-methyl-6-(triazol-1-yl)hexanamide?
N-methyl-6-(triazol-1-yl)hexanamide has a molecular weight of 196.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(triazol-1-yl)hexanamide is sourced from PubChem (CID 164816515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).