N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide

C11H18N4O — CID 39903772

IUPACN-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCCCC1
InChIInChI=1S/C11H18N4O/c16-11(7-15-9-12-8-13-15)14-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,14,16)
InChIKeyYLVIFNFKSZVNPJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds3

About N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide

N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 39903772) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID39903772
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCCCC1
InChIInChI=1S/C11H18N4O/c16-11(7-15-9-12-8-13-15)14-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,14,16)
InChIKeyYLVIFNFKSZVNPJ-UHFFFAOYSA-N
XLogP1.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide (CID 39903772) is N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YLVIFNFKSZVNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(7-15-9-12-8-13-15)14-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,14,16).
What are the key properties of N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide?
N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 39903772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).