5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide

C10H10FN5O — CID 107595278

IUPAC5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ccncc2F)n[nH]1
InChIInChI=1S/C10H10FN5O/c1-2-8-14-9(16-15-8)10(17)13-7-3-4-12-5-6(7)11/h3-5H,2H2,1H3,(H,12,13,17)(H,14,15,16)
InChIKeyUAJGWWNYIKYMOZ-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.15
Rot. Bonds3

About 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide

5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107595278) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID107595278
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ccncc2F)n[nH]1
InChIInChI=1S/C10H10FN5O/c1-2-8-14-9(16-15-8)10(17)13-7-3-4-12-5-6(7)11/h3-5H,2H2,1H3,(H,12,13,17)(H,14,15,16)
InChIKeyUAJGWWNYIKYMOZ-UHFFFAOYSA-N
XLogP1.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide (CID 107595278) is 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)Nc2ccncc2F)n[nH]1.
What is the InChIKey of 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is UAJGWWNYIKYMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-2-8-14-9(16-15-8)10(17)13-7-3-4-12-5-6(7)11/h3-5H,2H2,1H3,(H,12,13,17)(H,14,15,16).
What are the key properties of 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107595278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).