N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide

C13H11F3N4O3 — CID 142410930

IUPACN-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(C(F)(F)F)nc2)n[nH]c1=O
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)10-2-1-7(6-18-10)9-5-8(12(23)20-19-9)11(22)17-3-4-21/h1-2,5-6,21H,3-4H2,(H,17,22)(H,20,23)
InChIKeyVNRQYOCMSIPXDR-UHFFFAOYSA-N
MW328.25 g/mol
LogP0.57
Rot. Bonds4

About N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide

N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide (PubChem CID 142410930) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide
PubChem CID142410930
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC NameN-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(C(F)(F)F)nc2)n[nH]c1=O
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)10-2-1-7(6-18-10)9-5-8(12(23)20-19-9)11(22)17-3-4-21/h1-2,5-6,21H,3-4H2,(H,17,22)(H,20,23)
InChIKeyVNRQYOCMSIPXDR-UHFFFAOYSA-N
XLogP0.57
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide (CID 142410930) is N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide is O=C(NCCO)c1cc(-c2ccc(C(F)(F)F)nc2)n[nH]c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide?
The InChIKey is VNRQYOCMSIPXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c14-13(15,16)10-2-1-7(6-18-10)9-5-8(12(23)20-19-9)11(22)17-3-4-21/h1-2,5-6,21H,3-4H2,(H,17,22)(H,20,23).
What are the key properties of N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide?
N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 142410930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).