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

C5H6F2N4O2 — CID 137262440

IUPAC2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)C(F)F
InChIInChI=1S/C5H6F2N4O2/c6-3(7)4(12)8-1-2-9-5(13)11-10-2/h3H,1H2,(H,8,12)(H2,9,10,11,13)
InChIKeyOLROPYOHLKLXIP-UHFFFAOYSA-N
MW192.12 g/mol
LogP-1.02
Rot. Bonds3

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

2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 137262440) has the molecular formula C5H6F2N4O2 and a molecular weight of 192.12 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID137262440
Molecular FormulaC5H6F2N4O2
Molecular Weight192.12 g/mol
Exact Mass192.05
IUPAC Name2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)C(F)F
InChIInChI=1S/C5H6F2N4O2/c6-3(7)4(12)8-1-2-9-5(13)11-10-2/h3H,1H2,(H,8,12)(H2,9,10,11,13)
InChIKeyOLROPYOHLKLXIP-UHFFFAOYSA-N
XLogP-1.02
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (CID 137262440) is 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is O=C(NCc1n[nH]c(=O)[nH]1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is OLROPYOHLKLXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O2/c6-3(7)4(12)8-1-2-9-5(13)11-10-2/h3H,1H2,(H,8,12)(H2,9,10,11,13).
What are the key properties of 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 192.12 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 137262440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).