6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide

C10H11F3N4O3 — CID 108934838

IUPAC6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCNC(=O)C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)9(20)15-5-1-4-14-8(19)6-2-3-7(18)17-16-6/h2-3H,1,4-5H2,(H,14,19)(H,15,20)(H,17,18)
InChIKeyPIAHUVBBCMTTPP-UHFFFAOYSA-N
MW292.22 g/mol
LogP-0.43
Rot. Bonds5

About 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide (PubChem CID 108934838) has the molecular formula C10H11F3N4O3 and a molecular weight of 292.22 g/mol. Its IUPAC name is 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide
PubChem CID108934838
Molecular FormulaC10H11F3N4O3
Molecular Weight292.22 g/mol
Exact Mass292.08
IUPAC Name6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCNC(=O)C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)9(20)15-5-1-4-14-8(19)6-2-3-7(18)17-16-6/h2-3H,1,4-5H2,(H,14,19)(H,15,20)(H,17,18)
InChIKeyPIAHUVBBCMTTPP-UHFFFAOYSA-N
XLogP-0.43
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide (CID 108934838) is 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide is O=C(NCCCNC(=O)C(F)(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide?
The InChIKey is PIAHUVBBCMTTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O3/c11-10(12,13)9(20)15-5-1-4-14-8(19)6-2-3-7(18)17-16-6/h2-3H,1,4-5H2,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide has a molecular weight of 292.22 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108934838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).