N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide

C5H7FN4O — CID 90793360

IUPACN-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCF)c1ncn[nH]1
InChIInChI=1S/C5H7FN4O/c6-1-2-7-5(11)4-8-3-9-10-4/h3H,1-2H2,(H,7,11)(H,8,9,10)
InChIKeyITNXWHPDOINFBW-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.50
Rot. Bonds3

About N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 90793360) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID90793360
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC NameN-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCF)c1ncn[nH]1
InChIInChI=1S/C5H7FN4O/c6-1-2-7-5(11)4-8-3-9-10-4/h3H,1-2H2,(H,7,11)(H,8,9,10)
InChIKeyITNXWHPDOINFBW-UHFFFAOYSA-N
XLogP-0.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-Triazole-3-carboxamide
CID 65125
N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(2-fluoroethyl)-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 88390347
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
CID 140550095
N-(2,2,3,3,3-pentafluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 175726607
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 29867665
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47120536
1-(1H-1,2,4-triazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47849840

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide (CID 90793360) is N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCCF)c1ncn[nH]1.
What is the InChIKey of N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ITNXWHPDOINFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c6-1-2-7-5(11)4-8-3-9-10-4/h3H,1-2H2,(H,7,11)(H,8,9,10).
What are the key properties of N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 158.14 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 90793360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).