1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H16FN3O — CID 141295847

IUPAC1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1c(F)cccc1C1=CCN2C(=O)NN(C3CC3)C2=C1
InChIInChI=1S/C16H16FN3O/c1-10-13(3-2-4-14(10)17)11-7-8-19-15(9-11)20(12-5-6-12)18-16(19)21/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,21)
InChIKeyYAITVDCRNWAKJP-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.78
Rot. Bonds2

About 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 141295847) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID141295847
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1c(F)cccc1C1=CCN2C(=O)NN(C3CC3)C2=C1
InChIInChI=1S/C16H16FN3O/c1-10-13(3-2-4-14(10)17)11-7-8-19-15(9-11)20(12-5-6-12)18-16(19)21/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,21)
InChIKeyYAITVDCRNWAKJP-UHFFFAOYSA-N
XLogP2.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 141295847) is 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1c(F)cccc1C1=CCN2C(=O)NN(C3CC3)C2=C1.
What is the InChIKey of 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YAITVDCRNWAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10-13(3-2-4-14(10)17)11-7-8-19-15(9-11)20(12-5-6-12)18-16(19)21/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,21).
What are the key properties of 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 285.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(3-fluoro-2-methylphenyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 141295847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).