N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide

C6H8F2N4O — CID 130710336

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide
SMILESCc1nc(NC(=O)C(F)F)n(C)n1
InChIInChI=1S/C6H8F2N4O/c1-3-9-6(12(2)11-3)10-5(13)4(7)8/h4H,1-2H3,(H,9,10,11,13)
InChIKeyQVAURNPNPYIZJU-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.33
Rot. Bonds2

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide (PubChem CID 130710336) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide
PubChem CID130710336
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide
SMILESCc1nc(NC(=O)C(F)F)n(C)n1
InChIInChI=1S/C6H8F2N4O/c1-3-9-6(12(2)11-3)10-5(13)4(7)8/h4H,1-2H3,(H,9,10,11,13)
InChIKeyQVAURNPNPYIZJU-UHFFFAOYSA-N
XLogP0.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide (CID 130710336) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide is Cc1nc(NC(=O)C(F)F)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide?
The InChIKey is QVAURNPNPYIZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-3-9-6(12(2)11-3)10-5(13)4(7)8/h4H,1-2H3,(H,9,10,11,13).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide has a molecular weight of 190.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 130710336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).