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

C10H8F3N5O2 — CID 166321498

IUPAC2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)5-1-6(8(19)14-2-5)9(20)15-3-7-16-4-17-18-7/h1-2,4H,3H2,(H,14,19)(H,15,20)(H,16,17,18)
InChIKeyICAPUXPWKVXXLG-UHFFFAOYSA-N
MW287.20 g/mol
LogP0.44
Rot. Bonds3

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

2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166321498) has the molecular formula C10H8F3N5O2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166321498
Molecular FormulaC10H8F3N5O2
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H8F3N5O2/c11-10(12,13)5-1-6(8(19)14-2-5)9(20)15-3-7-16-4-17-18-7/h1-2,4H,3H2,(H,14,19)(H,15,20)(H,16,17,18)
InChIKeyICAPUXPWKVXXLG-UHFFFAOYSA-N
XLogP0.44
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166321498) is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCc1ncn[nH]1)c1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ICAPUXPWKVXXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2/c11-10(12,13)5-1-6(8(19)14-2-5)9(20)15-3-7-16-4-17-18-7/h1-2,4H,3H2,(H,14,19)(H,15,20)(H,16,17,18).
What are the key properties of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166321498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).