N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide

C10H8F3N5O2 — CID 171679212

IUPACN-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H8F3N5O2/c1-18-9(16-8(17-18)10(11,12)13)15-7(20)5-3-2-4-14-6(5)19/h2-4H,1H3,(H,14,19)(H,15,16,17,20)
InChIKeyMLRZRYVBHFLDIU-UHFFFAOYSA-N
MW287.20 g/mol
LogP0.77
Rot. Bonds2

About N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171679212) has the molecular formula C10H8F3N5O2 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID171679212
Molecular FormulaC10H8F3N5O2
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC NameN-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H8F3N5O2/c1-18-9(16-8(17-18)10(11,12)13)15-7(20)5-3-2-4-14-6(5)19/h2-4H,1H3,(H,14,19)(H,15,16,17,20)
InChIKeyMLRZRYVBHFLDIU-UHFFFAOYSA-N
XLogP0.77
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 171679212) is N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide is Cn1nc(C(F)(F)F)nc1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MLRZRYVBHFLDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2/c1-18-9(16-8(17-18)10(11,12)13)15-7(20)5-3-2-4-14-6(5)19/h2-4H,1H3,(H,14,19)(H,15,16,17,20).
What are the key properties of N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171679212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).