N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C14H15FN4O2 — CID 91906305

IUPACN-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN4O2/c15-10-4-6-11(7-5-10)16-13(20)9-19-14(21)18-8-2-1-3-12(18)17-19/h4-7H,1-3,8-9H2,(H,16,20)
InChIKeyXTNLOTUAVZGSKE-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.16
Rot. Bonds3

About N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 91906305) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID91906305
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN4O2/c15-10-4-6-11(7-5-10)16-13(20)9-19-14(21)18-8-2-1-3-12(18)17-19/h4-7H,1-3,8-9H2,(H,16,20)
InChIKeyXTNLOTUAVZGSKE-UHFFFAOYSA-N
XLogP1.16
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 91906305) is N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is XTNLOTUAVZGSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-10-4-6-11(7-5-10)16-13(20)9-19-14(21)18-8-2-1-3-12(18)17-19/h4-7H,1-3,8-9H2,(H,16,20).
What are the key properties of N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 290.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 91906305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).