N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C12H19F3N4 — CID 104844674

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCn1cnnc1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4/c1-2-19-8-17-18-11(19)7-16-10-5-3-9(4-6-10)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyFPBBGXMYPIWZMN-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.51
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844674) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844674
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCn1cnnc1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4/c1-2-19-8-17-18-11(19)7-16-10-5-3-9(4-6-10)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyFPBBGXMYPIWZMN-UHFFFAOYSA-N
XLogP2.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine 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-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844674) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CCn1cnnc1CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FPBBGXMYPIWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-2-19-8-17-18-11(19)7-16-10-5-3-9(4-6-10)12(13,14)15/h8-10,16H,2-7H2,1H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 276.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).