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

C12H19F3N4 — CID 64759093

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(F)(F)F)c1nncn1C
InChIInChI=1S/C12H19F3N4/c1-8(11-18-16-7-19(11)2)17-10-6-4-3-5-9(10)12(13,14)15/h7-10,17H,3-6H2,1-2H3
InChIKeyCRBODIKWXPTARZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.59
Rot. Bonds3

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759093) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759093
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(F)(F)F)c1nncn1C
InChIInChI=1S/C12H19F3N4/c1-8(11-18-16-7-19(11)2)17-10-6-4-3-5-9(10)12(13,14)15/h7-10,17H,3-6H2,1-2H3
InChIKeyCRBODIKWXPTARZ-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 64759093) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCCCC1C(F)(F)F)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CRBODIKWXPTARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-8(11-18-16-7-19(11)2)17-10-6-4-3-5-9(10)12(13,14)15/h7-10,17H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 276.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).