6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C11H15F3N4O2 — CID 107486181

IUPAC6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)N(CCO)CC(F)(F)F)nn1
InChIInChI=1S/C11H15F3N4O2/c1-2-15-9-4-3-8(16-17-9)10(20)18(5-6-19)7-11(12,13)14/h3-4,19H,2,5-7H2,1H3,(H,15,17)
InChIKeyYLFRTJGGIWCTDV-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.91
Rot. Bonds6

About 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 107486181) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID107486181
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)N(CCO)CC(F)(F)F)nn1
InChIInChI=1S/C11H15F3N4O2/c1-2-15-9-4-3-8(16-17-9)10(20)18(5-6-19)7-11(12,13)14/h3-4,19H,2,5-7H2,1H3,(H,15,17)
InChIKeyYLFRTJGGIWCTDV-UHFFFAOYSA-N
XLogP0.91
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62179220
6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 107486329
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114
3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107486136
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridazine-3-carboxamide
CID 113339822
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382
5-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107479775
N-(2-hydroxyethyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486122
N-(2-hydroxyethyl)-N-methyl-6-(methylamino)pyridazine-3-carboxamide
CID 62180605
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103915350
N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 107486117

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 107486181) is 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CCNc1ccc(C(=O)N(CCO)CC(F)(F)F)nn1.
What is the InChIKey of 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is YLFRTJGGIWCTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-2-15-9-4-3-8(16-17-9)10(20)18(5-6-19)7-11(12,13)14/h3-4,19H,2,5-7H2,1H3,(H,15,17).
What are the key properties of 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 107486181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).