2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one

C8H10F3N3O2 — CID 105061442

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C(CN)C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-16-6-2-3-7(15)14(13-6)5(4-12)8(9,10)11/h2-3,5H,4,12H2,1H3
InChIKeyWZTJDQHKHIADPK-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.31
Rot. Bonds3

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one

2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one (PubChem CID 105061442) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
PubChem CID105061442
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C(CN)C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-16-6-2-3-7(15)14(13-6)5(4-12)8(9,10)11/h2-3,5H,4,12H2,1H3
InChIKeyWZTJDQHKHIADPK-UHFFFAOYSA-N
XLogP0.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 113675831
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
2-(2,2-Difluoroethyl)-6-methoxypyridazin-3-one
CID 130627801
2-(1-Amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one
CID 105061447
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-Amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061569
2-[2-(Ethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061618
2-[2-(Ethylamino)propyl]-6-methoxypyridazin-3-one
CID 105061619
6-Methoxy-2-[2-(propylamino)propyl]pyridazin-3-one
CID 105061620
6-Methoxy-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 105061621

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one (CID 105061442) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(C(CN)C(F)(F)F)n1.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one?
The InChIKey is WZTJDQHKHIADPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-16-6-2-3-7(15)14(13-6)5(4-12)8(9,10)11/h2-3,5H,4,12H2,1H3.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one?
2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one has a molecular weight of 237.18 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).