1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one

C14H15FN4O — CID 86818743

IUPAC1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H15FN4O/c15-10-3-6-13(20)18(7-10)8-12-16-17-14(9-1-2-9)19(12)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2
InChIKeyZVAAIYGJJMEGIC-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.84
Rot. Bonds4

About 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one

1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one (PubChem CID 86818743) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
PubChem CID86818743
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H15FN4O/c15-10-3-6-13(20)18(7-10)8-12-16-17-14(9-1-2-9)19(12)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2
InChIKeyZVAAIYGJJMEGIC-UHFFFAOYSA-N
XLogP1.84
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one (CID 86818743) is 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one is O=c1ccc(F)cn1Cc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
The InChIKey is ZVAAIYGJJMEGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-3-6-13(20)18(7-10)8-12-16-17-14(9-1-2-9)19(12)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2.
What are the key properties of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 86818743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).