3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

C12H17F3N4O — CID 43022524

IUPAC3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-17-11(19-18-10)16-9(20)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19,20)
InChIKeyBLXFWLFGKFGELH-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.12
Rot. Bonds4

About 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 43022524) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID43022524
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-17-11(19-18-10)16-9(20)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19,20)
InChIKeyBLXFWLFGKFGELH-UHFFFAOYSA-N
XLogP3.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 43022524) is 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is O=C(CCC1CCCCC1)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is BLXFWLFGKFGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)10-17-11(19-18-10)16-9(20)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19,20).
What are the key properties of 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 43022524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).