N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C5H6F2N4O2 — CID 137266432

IUPACN-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC(F)F)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H6F2N4O2/c6-2(7)1-8-4(12)3-9-5(13)11-10-3/h2H,1H2,(H,8,12)(H2,9,10,11,13)
InChIKeyMQAIZHYABPEBJR-UHFFFAOYSA-N
MW192.12 g/mol
LogP-0.91
Rot. Bonds3

About N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137266432) has the molecular formula C5H6F2N4O2 and a molecular weight of 192.12 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137266432
Molecular FormulaC5H6F2N4O2
Molecular Weight192.12 g/mol
Exact Mass192.05
IUPAC NameN-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC(F)F)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H6F2N4O2/c6-2(7)1-8-4(12)3-9-5(13)11-10-3/h2H,1H2,(H,8,12)(H2,9,10,11,13)
InChIKeyMQAIZHYABPEBJR-UHFFFAOYSA-N
XLogP-0.91
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 ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,2,2-trifluoroethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43646857
6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione
CID 63227129
6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione
CID 79098619
N-methyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542330
N-ethyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542338
6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 107494051
6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 113966347
6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione
CID 126973630
3-[(2,2,2-Trifluoroethylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136299329
2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137259105
2,2-difluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137262440
N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137262828

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137266432) is N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NCC(F)F)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is MQAIZHYABPEBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O2/c6-2(7)1-8-4(12)3-9-5(13)11-10-3/h2H,1H2,(H,8,12)(H2,9,10,11,13).
What are the key properties of N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 192.12 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137266432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).