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

C5H7FN4O2 — CID 137262828

IUPACN-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCF)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H7FN4O2/c6-1-2-7-4(11)3-8-5(12)10-9-3/h1-2H2,(H,7,11)(H2,8,9,10,12)
InChIKeyCDEXKLNSDMZTIT-UHFFFAOYSA-N
MW174.13 g/mol
LogP-1.20
Rot. Bonds3

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

N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137262828) has the molecular formula C5H7FN4O2 and a molecular weight of 174.13 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137262828
Molecular FormulaC5H7FN4O2
Molecular Weight174.13 g/mol
Exact Mass174.06
IUPAC NameN-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCF)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H7FN4O2/c6-1-2-7-4(11)3-8-5(12)10-9-3/h1-2H2,(H,7,11)(H2,8,9,10,12)
InChIKeyCDEXKLNSDMZTIT-UHFFFAOYSA-N
XLogP-1.20
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)acetamide
CID 1269462
6-(2,2,2-trifluoroethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43646857
6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione
CID 79098619
6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione
CID 126973630
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-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137266432
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136951777
N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137274277
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide
CID 43410658
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide
CID 43410662
N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide
CID 43410668

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137262828) is N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NCCF)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is CDEXKLNSDMZTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O2/c6-1-2-7-4(11)3-8-5(12)10-9-3/h1-2H2,(H,7,11)(H2,8,9,10,12).
What are the key properties of N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 174.13 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137262828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).