3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide

C10H16F2N4O2 — CID 166280621

IUPAC3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)C(C)(C)C(C)(F)F
InChIInChI=1S/C10H16F2N4O2/c1-9(2,10(3,11)12)7(17)16(4)5-6-13-8(18)15-14-6/h5H2,1-4H3,(H2,13,14,15,18)
InChIKeyVPZHODICMZOKGK-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.74
Rot. Bonds4

About 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide

3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 166280621) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID166280621
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)C(C)(C)C(C)(F)F
InChIInChI=1S/C10H16F2N4O2/c1-9(2,10(3,11)12)7(17)16(4)5-6-13-8(18)15-14-6/h5H2,1-4H3,(H2,13,14,15,18)
InChIKeyVPZHODICMZOKGK-UHFFFAOYSA-N
XLogP0.74
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]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 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide (CID 166280621) is 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide is CN(Cc1n[nH]c(=O)[nH]1)C(=O)C(C)(C)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is VPZHODICMZOKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-9(2,10(3,11)12)7(17)16(4)5-6-13-8(18)15-14-6/h5H2,1-4H3,(H2,13,14,15,18).
What are the key properties of 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide?
3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 262.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 166280621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).