4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one

C12H15F2N5O — CID 144993262

IUPAC4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one
SMILESCc1cn(CC(F)CCn2ccc(N)c(F)c2=O)nn1
InChIInChI=1S/C12H15F2N5O/c1-8-6-19(17-16-8)7-9(13)2-4-18-5-3-10(15)11(14)12(18)20/h3,5-6,9H,2,4,7,15H2,1H3
InChIKeyYGOGSHFJDFWDBW-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.90
Rot. Bonds5

About 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one

4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one (PubChem CID 144993262) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one
PubChem CID144993262
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one
SMILESCc1cn(CC(F)CCn2ccc(N)c(F)c2=O)nn1
InChIInChI=1S/C12H15F2N5O/c1-8-6-19(17-16-8)7-9(13)2-4-18-5-3-10(15)11(14)12(18)20/h3,5-6,9H,2,4,7,15H2,1H3
InChIKeyYGOGSHFJDFWDBW-UHFFFAOYSA-N
XLogP0.90
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one?
The IUPAC name of 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one (CID 144993262) is 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one.
What is the SMILES notation for 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one?
The canonical SMILES for 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one is Cc1cn(CC(F)CCn2ccc(N)c(F)c2=O)nn1.
What is the InChIKey of 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one?
The InChIKey is YGOGSHFJDFWDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-8-6-19(17-16-8)7-9(13)2-4-18-5-3-10(15)11(14)12(18)20/h3,5-6,9H,2,4,7,15H2,1H3.
What are the key properties of 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one?
4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one has a molecular weight of 283.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]pyridin-2-one is sourced from PubChem (CID 144993262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).