N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H17F3N4O — CID 103716261

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(C(F)(F)F)C1)c1ncn[nH]1
InChIInChI=1S/C12H17F3N4O/c1-7(10-16-6-17-19-10)18-11(20)8-3-2-4-9(5-8)12(13,14)15/h6-9H,2-5H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyHEQFJNXKKKBONV-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.35
Rot. Bonds3

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103716261) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103716261
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(C(F)(F)F)C1)c1ncn[nH]1
InChIInChI=1S/C12H17F3N4O/c1-7(10-16-6-17-19-10)18-11(20)8-3-2-4-9(5-8)12(13,14)15/h6-9H,2-5H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyHEQFJNXKKKBONV-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-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-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103716261) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(NC(=O)C1CCCC(C(F)(F)F)C1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HEQFJNXKKKBONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(10-16-6-17-19-10)18-11(20)8-3-2-4-9(5-8)12(13,14)15/h6-9H,2-5H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.35, 3 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]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103716261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).