N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide

C10H13F3N4O2 — CID 55091956

IUPACN,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide
SMILESCN(C)C(=O)CCCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H13F3N4O2/c1-16(2)8(18)4-3-5-17-6-7(14-15-17)9(19)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyUEYCRKPOSMLUMZ-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.89
Rot. Bonds5

About N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide

N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide (PubChem CID 55091956) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide
PubChem CID55091956
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide
SMILESCN(C)C(=O)CCCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H13F3N4O2/c1-16(2)8(18)4-3-5-17-6-7(14-15-17)9(19)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyUEYCRKPOSMLUMZ-UHFFFAOYSA-N
XLogP0.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide (CID 55091956) is N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide is CN(C)C(=O)CCCn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide?
The InChIKey is UEYCRKPOSMLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-16(2)8(18)4-3-5-17-6-7(14-15-17)9(19)10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide?
N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide has a molecular weight of 278.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide is sourced from PubChem (CID 55091956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).