N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide

C8H10F2N4O2 — CID 104954941

IUPACN-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H10F2N4O2/c9-8(10,3-11)4-12-7(16)5-1-2-6(15)14-13-5/h1-2H,3-4,11H2,(H,12,16)(H,14,15)
InChIKeyXAXJQNPDHXAIDP-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.91
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 104954941) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID104954941
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H10F2N4O2/c9-8(10,3-11)4-12-7(16)5-1-2-6(15)14-13-5/h1-2H,3-4,11H2,(H,12,16)(H,14,15)
InChIKeyXAXJQNPDHXAIDP-UHFFFAOYSA-N
XLogP-0.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
2,2,2-trifluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]acetamide
CID 133675039
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
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
6-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridazine-3-carboxamide
CID 47038195
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 104954941) is N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide is NCC(F)(F)CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is XAXJQNPDHXAIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c9-8(10,3-11)4-12-7(16)5-1-2-6(15)14-13-5/h1-2H,3-4,11H2,(H,12,16)(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 232.19 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 104954941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).