N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C9H12F3N3O3 — CID 54877508

IUPACN-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)CC(F)(F)F)=NN1
InChIInChI=1S/C9H12F3N3O3/c10-9(11,12)5-15(3-4-16)8(18)6-1-2-7(17)14-13-6/h16H,1-5H2,(H,14,17)
InChIKeyDUAVVXQIMNQANT-UHFFFAOYSA-N
MW267.21 g/mol
LogP-0.36
Rot. Bonds4

About N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 54877508) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID54877508
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC NameN-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)CC(F)(F)F)=NN1
InChIInChI=1S/C9H12F3N3O3/c10-9(11,12)5-15(3-4-16)8(18)6-1-2-7(17)14-13-6/h16H,1-5H2,(H,14,17)
InChIKeyDUAVVXQIMNQANT-UHFFFAOYSA-N
XLogP-0.36
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 54877508) is N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)N(CCO)CC(F)(F)F)=NN1.
What is the InChIKey of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is DUAVVXQIMNQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c10-9(11,12)5-15(3-4-16)8(18)6-1-2-7(17)14-13-6/h16H,1-5H2,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 267.21 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 54877508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).