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

C11H17F3N4 — CID 113412486

IUPACN-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCn2ccnn2)C1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)9-2-1-3-10(8-9)15-4-6-18-7-5-16-17-18/h5,7,9-10,15H,1-4,6,8H2
InChIKeyMQLALRRWPBVHSS-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.99
Rot. Bonds4

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

N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 113412486) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID113412486
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCn2ccnn2)C1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)9-2-1-3-10(8-9)15-4-6-18-7-5-16-17-18/h5,7,9-10,15H,1-4,6,8H2
InChIKeyMQLALRRWPBVHSS-UHFFFAOYSA-N
XLogP1.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 113412486) is N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCCn2ccnn2)C1.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MQLALRRWPBVHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c12-11(13,14)9-2-1-3-10(8-9)15-4-6-18-7-5-16-17-18/h5,7,9-10,15H,1-4,6,8H2.
What are the key properties of N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 262.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 113412486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).