N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide

C11H16F2N4O — CID 75498911

IUPACN-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCCc1nc(NC(=O)C2CCC(F)(F)CC2)n[nH]1
InChIInChI=1S/C11H16F2N4O/c1-2-8-14-10(17-16-8)15-9(18)7-3-5-11(12,13)6-4-7/h7H,2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyNHQXSOMEJMUZCW-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.13
Rot. Bonds3

About N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide

N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 75498911) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID75498911
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCCc1nc(NC(=O)C2CCC(F)(F)CC2)n[nH]1
InChIInChI=1S/C11H16F2N4O/c1-2-8-14-10(17-16-8)15-9(18)7-3-5-11(12,13)6-4-7/h7H,2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyNHQXSOMEJMUZCW-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide 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-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide (CID 75498911) is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide is CCc1nc(NC(=O)C2CCC(F)(F)CC2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is NHQXSOMEJMUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c1-2-8-14-10(17-16-8)15-9(18)7-3-5-11(12,13)6-4-7/h7H,2-6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 258.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 75498911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).