4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one

C9H10Cl2F3N3O2 — CID 175845860

IUPAC4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC(COC(Cl)Cl)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C9H10Cl2F3N3O2/c1-4(3-19-8(10)11)16-5-2-15-17-7(18)6(5)9(12,13)14/h2,4,8H,3H2,1H3,(H2,16,17,18)
InChIKeyZHEBWYZSCYZSBX-UHFFFAOYSA-N
MW320.10 g/mol
LogP2.37
Rot. Bonds5

About 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one

4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 175845860) has the molecular formula C9H10Cl2F3N3O2 and a molecular weight of 320.10 g/mol. Its IUPAC name is 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID175845860
Molecular FormulaC9H10Cl2F3N3O2
Molecular Weight320.10 g/mol
Exact Mass319.01
IUPAC Name4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC(COC(Cl)Cl)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C9H10Cl2F3N3O2/c1-4(3-19-8(10)11)16-5-2-15-17-7(18)6(5)9(12,13)14/h2,4,8H,3H2,1H3,(H2,16,17,18)
InChIKeyZHEBWYZSCYZSBX-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-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

4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 167173452
methyl 3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoate
CID 146219517
4-[[(2S)-1-[(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 166132304
3-[(2R,3S)-3-hydroxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]butoxy]propanoic acid
CID 146218813
6-chloro-2-oxo-1-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propyl]pyridine-3-carboxylic acid
CID 167472161
5-(trifluoromethyl)-4-[1-[6-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-4-yl]oxypropan-2-ylamino]-1H-pyridazin-6-one
CID 175531236
4-[[(2S)-1-[2-[4-(5-tert-butylpyrimidin-2-yl)piperazin-1-yl]sulfanylethoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 153358181
N-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-4-yl]acetamide
CID 170167857
N-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 170168767
4-[[(2S)-1-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146219283
4-[[(2S)-1-[3-[4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]piperazin-1-yl]-3-oxopropoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146231707
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
CID 115576956

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 175845860) is 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one is CC(COC(Cl)Cl)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is ZHEBWYZSCYZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F3N3O2/c1-4(3-19-8(10)11)16-5-2-15-17-7(18)6(5)9(12,13)14/h2,4,8H,3H2,1H3,(H2,16,17,18).
What are the key properties of 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 320.10 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dichloromethoxy)propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 175845860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).