N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C11H10F3N5O2 — CID 64512070

IUPACN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H10F3N5O2/c1-19(4-8-15-5-16-18-8)10(21)6-2-3-7(11(12,13)14)17-9(6)20/h2-3,5H,4H2,1H3,(H,17,20)(H,15,16,18)
InChIKeyQGXPRMJMHASPRV-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.78
Rot. Bonds3

About N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 64512070) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID64512070
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC NameN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H10F3N5O2/c1-19(4-8-15-5-16-18-8)10(21)6-2-3-7(11(12,13)14)17-9(6)20/h2-3,5H,4H2,1H3,(H,17,20)(H,15,16,18)
InChIKeyQGXPRMJMHASPRV-UHFFFAOYSA-N
XLogP0.78
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 64512070) is N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QGXPRMJMHASPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-19(4-8-15-5-16-18-8)10(21)6-2-3-7(11(12,13)14)17-9(6)20/h2-3,5H,4H2,1H3,(H,17,20)(H,15,16,18).
What are the key properties of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 301.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64512070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).