cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine

C10H15F3N4 — CID 67490942

IUPACcis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine
SMILESCc1nnc(C(F)(F)F)n1[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C10H15F3N4/c1-6-15-16-9(10(11,12)13)17(6)8-4-2-3-7(14)5-8/h7-8H,2-5,14H2,1H3/t7-,8+/m0/s1
InChIKeyOSPDUZUPYCTXKC-JGVFFNPUSA-N
MW248.25 g/mol
LogP2.05
Rot. Bonds1

About cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine

cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine (PubChem CID 67490942) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine
PubChem CID67490942
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Namecis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine
SMILESCc1nnc(C(F)(F)F)n1[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C10H15F3N4/c1-6-15-16-9(10(11,12)13)17(6)8-4-2-3-7(14)5-8/h7-8H,2-5,14H2,1H3/t7-,8+/m0/s1
InChIKeyOSPDUZUPYCTXKC-JGVFFNPUSA-N
XLogP2.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine (CID 67490942) is cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine is Cc1nnc(C(F)(F)F)n1[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine?
The InChIKey is OSPDUZUPYCTXKC-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-6-15-16-9(10(11,12)13)17(6)8-4-2-3-7(14)5-8/h7-8H,2-5,14H2,1H3/t7-,8+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine?
cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine has a molecular weight of 248.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 67490942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).