N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C11H9F2N7O2 — CID 166321476

IUPACN-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)Nc1n[nH]c(C(F)F)n1
InChIInChI=1S/C11H9F2N7O2/c12-8(13)9-15-10(17-16-9)14-7(21)5-20-11(22)19-4-2-1-3-6(19)18-20/h1-4,8H,5H2,(H2,14,15,16,17,21)
InChIKeyWRUHKZWCGGWZAT-UHFFFAOYSA-N
MW309.24 g/mol
LogP0.19
Rot. Bonds4

About N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 166321476) has the molecular formula C11H9F2N7O2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID166321476
Molecular FormulaC11H9F2N7O2
Molecular Weight309.24 g/mol
Exact Mass309.08
IUPAC NameN-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)Nc1n[nH]c(C(F)F)n1
InChIInChI=1S/C11H9F2N7O2/c12-8(13)9-15-10(17-16-9)14-7(21)5-20-11(22)19-4-2-1-3-6(19)18-20/h1-4,8H,5H2,(H2,14,15,16,17,21)
InChIKeyWRUHKZWCGGWZAT-UHFFFAOYSA-N
XLogP0.19
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 166321476) is N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)Nc1n[nH]c(C(F)F)n1.
What is the InChIKey of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is WRUHKZWCGGWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N7O2/c12-8(13)9-15-10(17-16-9)14-7(21)5-20-11(22)19-4-2-1-3-6(19)18-20/h1-4,8H,5H2,(H2,14,15,16,17,21).
What are the key properties of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 309.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 166321476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).