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

C8H11F2N3O3 — CID 103770322

IUPACN-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC(O)C(F)F)=NN1
InChIInChI=1S/C8H11F2N3O3/c9-7(10)5(14)3-11-8(16)4-1-2-6(15)13-12-4/h5,7,14H,1-3H2,(H,11,16)(H,13,15)
InChIKeyAXGPKWUMMALPLK-UHFFFAOYSA-N
MW235.19 g/mol
LogP-1.01
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103770322) has the molecular formula C8H11F2N3O3 and a molecular weight of 235.19 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103770322
Molecular FormulaC8H11F2N3O3
Molecular Weight235.19 g/mol
Exact Mass235.08
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC(O)C(F)F)=NN1
InChIInChI=1S/C8H11F2N3O3/c9-7(10)5(14)3-11-8(16)4-1-2-6(15)13-12-4/h5,7,14H,1-3H2,(H,11,16)(H,13,15)
InChIKeyAXGPKWUMMALPLK-UHFFFAOYSA-N
XLogP-1.01
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103770322) is N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCC(O)C(F)F)=NN1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is AXGPKWUMMALPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O3/c9-7(10)5(14)3-11-8(16)4-1-2-6(15)13-12-4/h5,7,14H,1-3H2,(H,11,16)(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 235.19 g/mol, XLogP of -1.01, 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-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103770322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).