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

C11H15F3N4O — CID 43021049

IUPAC3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-16-10(18-17-9)15-8(19)6-5-7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18,19)
InChIKeyCXFCBKFGDJYDDJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.73
Rot. Bonds4

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

3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 43021049) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID43021049
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-16-10(18-17-9)15-8(19)6-5-7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18,19)
InChIKeyCXFCBKFGDJYDDJ-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 43021049) is 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is O=C(CCC1CCCC1)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is CXFCBKFGDJYDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)9-16-10(18-17-9)15-8(19)6-5-7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18,19).
What are the key properties of 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 43021049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).