N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C10H15F3N4 — CID 64757193

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ncn[nH]2)C1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-2-1-3-8(4-7)14-5-9-15-6-16-17-9/h6-8,14H,1-5H2,(H,15,16,17)
InChIKeyFLXACLPQXIJZDI-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.02
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757193) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757193
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ncn[nH]2)C1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-2-1-3-8(4-7)14-5-9-15-6-16-17-9/h6-8,14H,1-5H2,(H,15,16,17)
InChIKeyFLXACLPQXIJZDI-UHFFFAOYSA-N
XLogP2.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757193) is N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCc2ncn[nH]2)C1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FLXACLPQXIJZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)7-2-1-3-8(4-7)14-5-9-15-6-16-17-9/h6-8,14H,1-5H2,(H,15,16,17).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 248.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).