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

C16H20N4O — CID 6460430

IUPACN-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C16H20N4O/c21-16(19-14-5-3-1-2-4-6-14)13-7-9-15(10-8-13)20-11-17-18-12-20/h7-12,14H,1-6H2,(H,19,21)
InChIKeyDDAJLFLLVLZIKF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.72
Rot. Bonds3

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

N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6460430) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID6460430
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C16H20N4O/c21-16(19-14-5-3-1-2-4-6-14)13-7-9-15(10-8-13)20-11-17-18-12-20/h7-12,14H,1-6H2,(H,19,21)
InChIKeyDDAJLFLLVLZIKF-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide 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-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide (CID 6460430) is N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide is O=C(NC1CCCCCC1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is DDAJLFLLVLZIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-14-5-3-1-2-4-6-14)13-7-9-15(10-8-13)20-11-17-18-12-20/h7-12,14H,1-6H2,(H,19,21).
What are the key properties of N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide?
N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6460430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).