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

C10H13F3N4O2 — CID 55092257

IUPACN-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
SMILESCC(C)NC(=O)C(C)n1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H13F3N4O2/c1-5(2)14-9(19)6(3)17-4-7(15-16-17)8(18)10(11,12)13/h4-6H,1-3H3,(H,14,19)
InChIKeyVMVSQECDRGIWTD-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.11
Rot. Bonds4

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

N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide (PubChem CID 55092257) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
PubChem CID55092257
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
SMILESCC(C)NC(=O)C(C)n1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H13F3N4O2/c1-5(2)14-9(19)6(3)17-4-7(15-16-17)8(18)10(11,12)13/h4-6H,1-3H3,(H,14,19)
InChIKeyVMVSQECDRGIWTD-UHFFFAOYSA-N
XLogP1.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
CID 72218174
1-[1-(2-aminoethyl)-1H-1,2,3-triazol-4-yl]ethan-1-one hydrochloride
CID 165884943
1-[1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
CID 116583007
N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide
CID 144993143
N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-2-oxo-4-pyridinyl]-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 144993227
N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide
CID 55091956
1-[2-[4-(2,2,2-Trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one
CID 55092056
1-[1-[2-(Diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 55092057
N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
CID 55092103
2,2,2-Trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone
CID 55092104
N-propyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
CID 55092153
N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
CID 55092258

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
The IUPAC name of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide (CID 55092257) is N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
The canonical SMILES for N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide is CC(C)NC(=O)C(C)n1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
The InChIKey is VMVSQECDRGIWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-5(2)14-9(19)6(3)17-4-7(15-16-17)8(18)10(11,12)13/h4-6H,1-3H3,(H,14,19).
What are the key properties of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide?
N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide has a molecular weight of 278.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide is sourced from PubChem (CID 55092257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).