2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N4O2 — CID 103220641

IUPAC2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ncc(NC2CCC2)cc1=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-16-10(20)6-19-11(21)4-9(5-17-19)18-8-2-1-3-8/h4-5,8,18H,1-3,6-7H2,(H,16,20)
InChIKeyGMUXJMWZXWZGEQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.89
Rot. Bonds5

About 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103220641) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103220641
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ncc(NC2CCC2)cc1=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-16-10(20)6-19-11(21)4-9(5-17-19)18-8-2-1-3-8/h4-5,8,18H,1-3,6-7H2,(H,16,20)
InChIKeyGMUXJMWZXWZGEQ-UHFFFAOYSA-N
XLogP0.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219931
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
5-(Cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220694
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221221
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221931

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103220641) is 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ncc(NC2CCC2)cc1=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GMUXJMWZXWZGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)7-16-10(20)6-19-11(21)4-9(5-17-19)18-8-2-1-3-8/h4-5,8,18H,1-3,6-7H2,(H,16,20).
What are the key properties of 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 304.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103220641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).