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

C11H13FN4O — CID 99831478

IUPAC1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
SMILESCCn1c(C)nnc1Cn1cc(F)ccc1=O
InChIInChI=1S/C11H13FN4O/c1-3-16-8(2)13-14-10(16)7-15-6-9(12)4-5-11(15)17/h4-6H,3,7H2,1-2H3
InChIKeyHAZURCYYURJCGZ-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.96
Rot. Bonds3

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

1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one (PubChem CID 99831478) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
PubChem CID99831478
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
SMILESCCn1c(C)nnc1Cn1cc(F)ccc1=O
InChIInChI=1S/C11H13FN4O/c1-3-16-8(2)13-14-10(16)7-15-6-9(12)4-5-11(15)17/h4-6H,3,7H2,1-2H3
InChIKeyHAZURCYYURJCGZ-UHFFFAOYSA-N
XLogP0.96
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one (CID 99831478) is 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one is CCn1c(C)nnc1Cn1cc(F)ccc1=O.
What is the InChIKey of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
The InChIKey is HAZURCYYURJCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-16-8(2)13-14-10(16)7-15-6-9(12)4-5-11(15)17/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one?
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one has a molecular weight of 236.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 99831478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).