2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide

C4H4F2N4O — CID 12510004

IUPAC2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Nc1ncn[nH]1)C(F)F
InChIInChI=1S/C4H4F2N4O/c5-2(6)3(11)9-4-7-1-8-10-4/h1-2H,(H2,7,8,9,10,11)
InChIKeyXRKMKTOEEFOMJG-UHFFFAOYSA-N
MW162.10 g/mol
LogP0.01
Rot. Bonds2

About 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide

2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 12510004) has the molecular formula C4H4F2N4O and a molecular weight of 162.10 g/mol. Its IUPAC name is 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID12510004
Molecular FormulaC4H4F2N4O
Molecular Weight162.10 g/mol
Exact Mass162.04
IUPAC Name2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Nc1ncn[nH]1)C(F)F
InChIInChI=1S/C4H4F2N4O/c5-2(6)3(11)9-4-7-1-8-10-4/h1-2H,(H2,7,8,9,10,11)
InChIKeyXRKMKTOEEFOMJG-UHFFFAOYSA-N
XLogP0.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-1H-1,2,4-Triazol-5-ylacetamide
CID 266439
2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 3094068
2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 282322
2,2,3,3,4,4,4-Heptafluoro-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 1915836
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea
CID 1924000
2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 267660
N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45884234
N-(1H-1,2,4-triazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45894383
3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 132970373
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 156532270
N-(1h-1,2,4-triazol-5-yl)cyano-acetamide
CID 82667977
2-Mercapto-N-1H-1,2,4-triazol-5-ylacetamide
CID 83768040

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 12510004) is 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Nc1ncn[nH]1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is XRKMKTOEEFOMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N4O/c5-2(6)3(11)9-4-7-1-8-10-4/h1-2H,(H2,7,8,9,10,11).
What are the key properties of 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide?
2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 162.10 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 12510004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).