1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide

C14H21F3N4O3 — CID 136518894

IUPAC1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1=NN(CCO)C(=O)CC1
InChIInChI=1S/C14H21F3N4O3/c15-14(16,17)9-20-4-3-10(8-20)7-18-13(24)11-1-2-12(23)21(19-11)5-6-22/h10,22H,1-9H2,(H,18,24)
InChIKeyAQHHZAJYVCJPMM-UHFFFAOYSA-N
MW350.34 g/mol
LogP-0.04
Rot. Bonds6

About 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide

1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 136518894) has the molecular formula C14H21F3N4O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID136518894
Molecular FormulaC14H21F3N4O3
Molecular Weight350.34 g/mol
Exact Mass350.16
IUPAC Name1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1=NN(CCO)C(=O)CC1
InChIInChI=1S/C14H21F3N4O3/c15-14(16,17)9-20-4-3-10(8-20)7-18-13(24)11-1-2-12(23)21(19-11)5-6-22/h10,22H,1-9H2,(H,18,24)
InChIKeyAQHHZAJYVCJPMM-UHFFFAOYSA-N
XLogP-0.04
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide (CID 136518894) is 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)C1=NN(CCO)C(=O)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is AQHHZAJYVCJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O3/c15-14(16,17)9-20-4-3-10(8-20)7-18-13(24)11-1-2-12(23)21(19-11)5-6-22/h10,22H,1-9H2,(H,18,24).
What are the key properties of 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide?
1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 136518894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).