N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide

C10H11F3N4O2 — CID 55092258

IUPACN-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)n1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H11F3N4O2/c1-5(9(19)14-6-2-3-6)17-4-7(15-16-17)8(18)10(11,12)13/h4-6H,2-3H2,1H3,(H,14,19)
InChIKeyAXRCOKBLNNNLIJ-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.86
Rot. Bonds4

About N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide

N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide (PubChem CID 55092258) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
PubChem CID55092258
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC NameN-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)n1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H11F3N4O2/c1-5(9(19)14-6-2-3-6)17-4-7(15-16-17)8(18)10(11,12)13/h4-6H,2-3H2,1H3,(H,14,19)
InChIKeyAXRCOKBLNNNLIJ-UHFFFAOYSA-N
XLogP0.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide (CID 55092258) is N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide is CC(C(=O)NC1CC1)n1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
The InChIKey is AXRCOKBLNNNLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-5(9(19)14-6-2-3-6)17-4-7(15-16-17)8(18)10(11,12)13/h4-6H,2-3H2,1H3,(H,14,19).
What are the key properties of N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide has a molecular weight of 276.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide is sourced from PubChem (CID 55092258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).