5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

C10H11FN4O — CID 176639883

IUPAC5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCC(C)c1ncn(-c2cc(F)c[nH]c2=O)n1
InChIInChI=1S/C10H11FN4O/c1-6(2)9-13-5-15(14-9)8-3-7(11)4-12-10(8)16/h3-6H,1-2H3,(H,12,16)
InChIKeyRYGSORFSOKLXTR-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.22
Rot. Bonds2

About 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (PubChem CID 176639883) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
PubChem CID176639883
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCC(C)c1ncn(-c2cc(F)c[nH]c2=O)n1
InChIInChI=1S/C10H11FN4O/c1-6(2)9-13-5-15(14-9)8-3-7(11)4-12-10(8)16/h3-6H,1-2H3,(H,12,16)
InChIKeyRYGSORFSOKLXTR-UHFFFAOYSA-N
XLogP1.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70217179
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CID 168934654
CID 168934654
CID 168934704
CID 168934704
CID 168934758
CID 168934758
CID 168934812
CID 168934812
CID 168934886
CID 168934886
CID 169938648
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CID 176078475
CID 176078475

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (CID 176639883) is 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is CC(C)c1ncn(-c2cc(F)c[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The InChIKey is RYGSORFSOKLXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-6(2)9-13-5-15(14-9)8-3-7(11)4-12-10(8)16/h3-6H,1-2H3,(H,12,16).
What are the key properties of 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one has a molecular weight of 222.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 176639883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).