N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide

C13H24N4O — CID 103722955

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
SMILESCCCCCCCCC(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C13H24N4O/c1-3-4-5-6-7-8-9-12(18)16-11(2)13-14-10-15-17-13/h10-11H,3-9H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyVMCMAQLYEWXWPL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.73
Rot. Bonds9

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide (PubChem CID 103722955) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
PubChem CID103722955
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
SMILESCCCCCCCCC(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C13H24N4O/c1-3-4-5-6-7-8-9-12(18)16-11(2)13-14-10-15-17-13/h10-11H,3-9H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyVMCMAQLYEWXWPL-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide 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

6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282651
1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103950239
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840
5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
CID 56696523
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282590

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide (CID 103722955) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide is CCCCCCCCC(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide?
The InChIKey is VMCMAQLYEWXWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-5-6-7-8-9-12(18)16-11(2)13-14-10-15-17-13/h10-11H,3-9H2,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide has a molecular weight of 252.36 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide is sourced from PubChem (CID 103722955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).