1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one

C14H9F3N4O2 — CID 151956628

IUPAC1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(-n2ccnn2)c(OC(F)(F)F)c1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)23-12-9-10(20-7-2-1-3-13(20)22)4-5-11(12)21-8-6-18-19-21/h1-9H
InChIKeyTXTVTRVOQHCIJB-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.32
Rot. Bonds3

About 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one

1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 151956628) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID151956628
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(-n2ccnn2)c(OC(F)(F)F)c1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)23-12-9-10(20-7-2-1-3-13(20)22)4-5-11(12)21-8-6-18-19-21/h1-9H
InChIKeyTXTVTRVOQHCIJB-UHFFFAOYSA-N
XLogP2.32
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one (CID 151956628) is 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one is O=c1ccccn1-c1ccc(-n2ccnn2)c(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is TXTVTRVOQHCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-14(16,17)23-12-9-10(20-7-2-1-3-13(20)22)4-5-11(12)21-8-6-18-19-21/h1-9H.
What are the key properties of 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one?
1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 322.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 151956628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).