N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide

C8H9F2N3O3 — CID 103769738

IUPACN-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H9F2N3O3/c9-7(10)5(14)3-11-8(16)4-1-2-6(15)13-12-4/h1-2,5,7,14H,3H2,(H,11,16)(H,13,15)
InChIKeyWWANVFATALOZEY-UHFFFAOYSA-N
MW233.17 g/mol
LogP-0.87
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103769738) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103769738
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H9F2N3O3/c9-7(10)5(14)3-11-8(16)4-1-2-6(15)13-12-4/h1-2,5,7,14H,3H2,(H,11,16)(H,13,15)
InChIKeyWWANVFATALOZEY-UHFFFAOYSA-N
XLogP-0.87
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxamide
CID 37067126
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
6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide
CID 103528798
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide
CID 103709585
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridazine-3-carboxamide
CID 103713365
N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103714909
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)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103769738) is N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC(O)C(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WWANVFATALOZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c9-7(10)5(14)3-11-8(16)4-1-2-6(15)13-12-4/h1-2,5,7,14H,3H2,(H,11,16)(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 233.17 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103769738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).