N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

C9H11F2N3O3 — CID 103769855

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)C(F)F)ccc1=O
InChIInChI=1S/C9H11F2N3O3/c1-14-7(16)3-2-5(13-14)9(17)12-4-6(15)8(10)11/h2-3,6,8,15H,4H2,1H3,(H,12,17)
InChIKeySZAKABXYRRKCKL-UHFFFAOYSA-N
MW247.20 g/mol
LogP-0.86
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 103769855) has the molecular formula C9H11F2N3O3 and a molecular weight of 247.20 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID103769855
Molecular FormulaC9H11F2N3O3
Molecular Weight247.20 g/mol
Exact Mass247.08
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(O)C(F)F)ccc1=O
InChIInChI=1S/C9H11F2N3O3/c1-14-7(16)3-2-5(13-14)9(17)12-4-6(15)8(10)11/h2-3,6,8,15H,4H2,1H3,(H,12,17)
InChIKeySZAKABXYRRKCKL-UHFFFAOYSA-N
XLogP-0.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533
1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 78786042
2-[(2S)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824500
2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824501
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103082670
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 103769855) is N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(O)C(F)F)ccc1=O.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is SZAKABXYRRKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3/c1-14-7(16)3-2-5(13-14)9(17)12-4-6(15)8(10)11/h2-3,6,8,15H,4H2,1H3,(H,12,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 247.20 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 103769855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).