4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one

C8H7FN4O — CID 118426794

IUPAC4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one
SMILESCc1nc(-n2cn[nH]c2=O)ccc1F
InChIInChI=1S/C8H7FN4O/c1-5-6(9)2-3-7(11-5)13-4-10-12-8(13)14/h2-4H,1H3,(H,12,14)
InChIKeyRYXNSVSFKYKNMD-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.40
Rot. Bonds1

About 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one

4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one (PubChem CID 118426794) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one
PubChem CID118426794
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one
SMILESCc1nc(-n2cn[nH]c2=O)ccc1F
InChIInChI=1S/C8H7FN4O/c1-5-6(9)2-3-7(11-5)13-4-10-12-8(13)14/h2-4H,1H3,(H,12,14)
InChIKeyRYXNSVSFKYKNMD-UHFFFAOYSA-N
XLogP0.40
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one (CID 118426794) is 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one is Cc1nc(-n2cn[nH]c2=O)ccc1F.
What is the InChIKey of 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one?
The InChIKey is RYXNSVSFKYKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c1-5-6(9)2-3-7(11-5)13-4-10-12-8(13)14/h2-4H,1H3,(H,12,14).
What are the key properties of 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one?
4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one has a molecular weight of 194.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 118426794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).